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Direct Publications

The direct publications from the MLPCN or MLSCN centers in each of the following years: 20132012, 20112010, 2009, 2008, 2007, 2006, 2005 are listed below. The screening center PI is in bold.

The sample of indirect publications from the MLPCN and MLSCN centers for each of the following years can be found here: Indirect Pubs

2013 

Kansas

  1.  Small-molecule pyrimidine inhibitors of the cdc2-like (Clk) and dual specificity tyrosine phosphorylation-regulated (Dyrk) kinases: Development of chemical probe ML315. Coombs, T. C.; Tanega, C.; Shen, M.; Wang, J. L.; Auld, D. S.; Gerritz, S. W.; Schoenen, F. J.; Thomas, C. J.; Aubé, J. Bioorg. Med. Chem. Lett. 2013, 23 (12), pp 3654-3661.
  2. Interrogating a Hexokinase-Selected Small Molecule Library for Inhibitors of Plasmodiumfalciparum Hexokinase.” Antimicrob. Agents Chemother. Harris, M.; Walker, D.; Drew, M.; Mitchell, W.; Dao, K.; Schroeder, C.; Flaherty, D.; Weiner, W.; Golden,J.; Morris, J. Antimicrob. Agents Chemother., August 2013, 57 (8), pp 3731-3737.
  3. Identification of Potent and Selective Inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase (PfM18AAP) of Human Malaria via High Throughput Screening. Spicer, T.; Fernandez-Vega, V.; Chase, P.; Scampavia, L.; To, J.; Dalton, J. P.; Da Silva, F. L.; Skinner- Adams, T. S.; Gardiner, D. L.; Trenholme, K. R.; Brown, C. L.; Ghosh, P.; Porubsky, P.; Wang, J. L.; Whipple, D. A.; Schoenen, F. J.; Hodder, P. J Biomol Screen. 2014 Mar 11.
  4. Primuline Derivatives That Mimic RNA To Stimulate Hepatitis C Virus NS3 Helicase-Catalyzed ATPHydrolysis. Sweeney, N. L.; Shadrick, W. R.; Mukherjee, S.; Li, K.; Frankowski, K. J.; Schoenen, F. J.; Frick, D. N. J. Biol. Chem. 2013, 288, pp 19949-19957.

NCGC

  1. Small-molecule pyrimidine inhibitors of the cdc2-like (Clk) and dual specificity tyrosine phosphorylation-regulated (Dyrk) kinases: Development of chemical probe ML315. Coombs T C, Tanega C, Shen M, Wang JL, Auld DS, Gerritz SW, Schoenen FJ, Thomas CJ, Aubé J. Bioorg Med Chem Lett. 23(12):3654-61.
  2. Biochemical, Cellular and Biophysical Characterization of a Potent Inhibitor of Mutant Isocitrate Dehydrogenase IDH1. Davis MI, Gross S, Shen M, Straley K, Pragani R, Lea WA, Popovici-Muller J, DeLaBarre B, Artin E, Thorne N, Auld DS, Li Z, Dang L, Boxer MB, Simeonov A. J Biol Chem. 2014 Mar 25.
  3. Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ. Bioorg Med Chem Lett. 2014 Jan 15;24(2):630-5.
  4. 4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide (ML267), a Potent Inhibitor of Bacterial Phosphopantetheinyl Transferase That Attenuates Secondary Metabolism and Thwarts Bacterial Growth. Foley TL, Rai G, Yasgar A, Daniel T, Baker HL, Attene-Ramos M, Kosa NM, Leister W, Burkart MD, Jadhav A, Simeonov A, Maloney DJ. J Med Chem. 2014 Feb 13;57(3):1063-78.
  5. On the Validity versus Utility of Activity Landscapes: Are all Activity Cliffs Statistically Significant? Guha R, Franco J. J Cheminform. 2014 Apr 2;6(1):11.
  6. Inhibition of DNA Glycosylases via Small Molecule Purine Analogs. Jacobs AC, Calkins MJ, Jadhav A, Dorjsuren D, Maloney D, Simeonov A, Jaruga P, Dizdaroglu M, McCullough AK, Lloyd RS. PLoS One. 2013 Dec 9;8(12):e81667.
  7. A selective USP1-UAF1 inhibitor links deubiquitination to DNA damage responses. Liang Q, Dexheimer TS, Zhang P, Rosenthal AS, Villamil MA, You C, Zhang Q, Chen J, Ott CA, Sun H, Luci DK, Yuan B, Simeonov A, Jadhav A, Xiao H, Wang Y, Maloney DJ, Zhuang Z. Nat Chem Biol. 2014 Apr;10(4):298-304.
  8. Synthesis and structure-activity relationship studies of 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase. Luci DK, Jameson JB 2nd, Yasgar A, Diaz G, Joshi N, Kantz A, Markham K, Perry S, Kuhn N, Yeung J, Kerns EH, Schultz L, Holinstat M, Nadler JL, Taylor-Fishwick DA, Jadhav A, Simeonov A, Holman TR, Maloney DJ. J Med Chem. 2014 Jan 23;57(2):495-506.
  9. Peroxisome Proliferation-Activated Receptor δ Agonist GW0742 Interacts Weakly with Multiple Nuclear Receptors, Including the Vitamin D Receptor. Nandhikonda P, Yasgar A, Baranowski AM, Sidhu PS, McCallum MM, Pawlak AJ, Teske K, Feleke B, Yuan NY, Kevin C, Bikle DD, Ayers SD, Webb P, Rai G, Simeonov A, Jadhav A, Maloney D, Arnold LA. . Biochemistry. 52(24):4193-203.
  10. Potent and Selective Inhibitors of Human Reticulocyte 12/15- Lipoxygenase as Anti-Stroke Therapies. Rai G, Joshi N, Jung J-E, Liu Y, Schultz L, Yasgar A, Perry S, Diaz G, Zhang Q, Kenyon V, Jadhav A, Simeonov A, Lo EH, van Leyen K, Maloney DJ, Holman TR. J Med Chem. 2014 Mar 31.
  11. Synthesis and SAR studies of 5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine derivatives as potent inhibitors of Bloom helicase. Rosenthal AS, Dexheimer TS, Gileadi O, Nguyen GH, Chu WK, Hickson ID, Jadhav A, Simeonov A, Maloney DJ. Bioorg Med Chem Lett. 23(20):5660-6.
  12. A Cell-Permeable Ester Derivative of the JmjC Histone Demethylase Inhibitor IOX1. Schiller R, Scozzafava G, Tumber A, Wickens JR, Bush JT, Rai G, Lejeune C, Choi H, Yeh TL, Chan MC, Mott BT, McCullagh JS, Maloney DJ, Schofield CJ, Kawamura A. Chem Med Chem. 2014 Mar;9(3):566-71.
  13. Identification and optimization of small molecule agonists of the human relaxin hormone receptor RXFP1. Xiao J, Huang Z, Chen CZ, Agoulnik IU, Southall N, Hu X, Jones RE, Ferrer M, Zheng W, Agoulnik AI, Marugan JJ. Nature Communications. 4:1953.

Scripps

  1. Pharmacological repression of RORγ is therapeutic in the collagen-induced arthritis experimental model. Chang MR, Lyda B, Kamenecka TM, Griffin PR. Arthritis Rheumatol. 2014 Mar;66(3):579-88. 
  2. High Throughput Screen for Pharmacoperones of the Vasopressin Type 2 Receptor. Conn PM, Smith E, Hodder P, Janovick JA, Smithson DC. Biomol Screen. 2013 Sep;18(8):930-7.
  3. Insights into the mechanism of streptonigrin-induced protein arginine deiminase inactivation. Dreyton CJ, Anderson ED, Subramanian V, Boger DL, Thompson PR.  Bioorg Med Chem. 2014 Feb 15;22(4):1362-9.
  4. Discovery of the First M5-Selective and CNS Penetrant Negative Allosteric Modulator (NAM) of a Muscarinic Acetylcholine Receptor: (S)-9b-(4-Chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5(9bH)-one (ML375). Gentry P,  Kokubo M,  Bridges T, Kett N, Harp J,  Cho H, Smith E, Chase P,  Hodder P, Niswender C, Daniels JS,  Conn PJ, Wood M, Lindsley C,. J Med Chem. 2013 Nov 27;56(22):9351-5.
  5. Identification of a μ-δ opioid receptor heteromer-biased agonist with antinociceptive activity. Gomes I, Fujita W, Gupta A, Saldanha SA,  Negri A, Pinello CE, Eberhart C, Roberts E,  Filizola M, Hodder P, Devi LA. Proc Natl Acad Sci U S A. 2013 Jul 16;110(29):12072-7.
  6. Discovery, design and synthesis of a selective S1P3 receptor allosteric agonist. Guerrero M, Poddutoori R, Urbano M, Peng X, Spicer TP, Chase PS, Hodder PS, Schaeffer MT, Brown S, Rosen H, Roberts E. Bioorg Med Chem Lett. 2013 Dec 1;23(23):6346-9.
  7. Development and optimization of piperidyl-1,2,3-triazole ureas as selective chemical probes of endocannabinoid biosynthesis. Hsu KL, Tsuboi K, Whitby LR, Speers AE, Pugh H, Inloes J, Cravatt BF. J Med Chem. 2013 Nov 14;56(21):8257-69.
  8. A high-throughput cell-based gaussia luciferase reporter assay for identifying regulators of fibulin-3 secretion. Hulleman JD, Brown SJ, Rosen H, Kelly JW. J Biomol Screen. 2013 Jul;18(6):647-58.
  9. Sphingosine kinase 2 prevents the nuclear translocation of sphingosine 1- phosphate receptor-2 and tyrosine 416 phosphorylated c-Src and increases estrogen receptor negative MDA-MB-231 breast cancer cell growth: The role of sphingosine 1-phosphate receptor-4. Ohotski J, Rosen H, Bittman R, Pyne S, Pyne NJ. Cell Signal. 2014 May;26(5):1040-7.
  10. Hydroxyquinoline-derived compounds and analoguing of selective Mcl-1 inhibitors using a functional biomarker. Richard DJ, Lena R, Bannister T, Blake N, Pierceall WE, Carlson NE, Keller CE, Koenig M, He Y, Minond D, Mishra J, Cameron M, Spicer T, Hodder P, Cardone MH. Bioorg Med Chem. 2013 Nov 1;21(21):6642-9.
  11. A sphingosine 1-phosphate receptor 2 selective allosteric agonist. Satsu H, Schaeffer MT, Guerrero M, Saldana A, Eberhart C, Hodder P, Cayanan C, Schürer S, Bhhatarai B, Roberts E, Rosen H, Brown SJ. Bioorg Med Chem. 2013 Sep 1;21(17):5373-82.
  12. Identification of Potent and Selective Inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase (PfM18AAP) of Human Malaria via High- Throughput Screening. Spicer T, Fernandez-Vega V, Chase P, Scampavia L, To J, Dalton JP, Da Silva FL, Skinner-Adams TS, Gardiner DL, Trenholme KR, Brown CL, Ghosh P, Porubsky P, Wang JL, Whipple DA, Schoenen FJ, Hodder P. J Biomol Screen. 2014 Mar 11.
  13. Protection of ferrets from pulmonary injury due to H1N1 2009influenza virus infection: Immunopathology tractablebysphingosine-1-phosphate1receptoragonisttherapy Mapping the innate signaling cascade essential for cytokine storm during influenza virus infection. Teijaro J, Walsh K, Long J, Tordoff K, Stark G, Eisfeld A, Kawaoka Y, Rosen H, Oldstone M. Virology. 2014 Mar;452-453:152-7.
  14. An altered zinc-binding site confers resistance to a covalent inactivator of New Delhi metallo-beta-lactamase-1 (NDM-1) discovered by high-throughput screening. Thomas PW, Spicer T, Cammarata M, Brodbelt JS, Hodder P, Fast W. Bioorg Med Chem. 2013 Jun 1;21(11):3138-46.
  15. Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: identification of ML300 and noncovalent nanomolar inhibitors with an induced-fit binding. Turlington M, Chun A, Tomar S, Eggler A, Grum-Tokars V, Jacobs J, Daniels JS, Dawson E, Saldanha A, Chase P, Baez-Santos YM, Lindsley CW, Hodder P, Mesecar AD, Stauffer SR. Bioorg Med Chem Lett. 2013 Nov 15;23(22):6172-7.
  16. Modulators of the Sphingosine 1-phosphate receptor 1. Urbano M, Guerrero M, Rosen H, Roberts E.  Bioorg Med Chem Lett. 2013 Dec 1;23(23):6377-89.
  17. Small-molecule procaspase activators identified using fluorescence polarization. Vickers CJ, González-Páez GE, Umotoy JC, Cayanan-Garrett C, Brown SJ, Wolan DW. Chembiochem. 2013 Aug 19;14(12):1419-22.
  18. Bufalin Is a Potent Small-Molecule Inhibitor of the Steroid Receptor Coactivators SRC-3 and SRC-1. Wang Y, Lonard DM, Yu Y, Chow DC,  Palzkill TG, Wang J, Qi R, Matzuk AJ, Song X, Madoux F, Hodder P,  Chase P, Griffin PR,  Zhou S, Liao l, Xu J, O’Malley BW. Cancer Res. 2014 Mar 1;74(5):1506-17.

Vanderbilt

  1. Phospholipase D2 mediates survival signaling through direct regulation of Akt in glioblastoma cells. Bruntz, R.C.; Taylor, H.E.; Lindsley, C.W.; Brown, H.A. J. Bio. Chem. 2014 Jan 10;289(2):600-16.
  2. Discovery of the first M5-selective and CNS penetrant negative allo-steric modulator (NAM) of a muscarinic acetylcholine receptor: (S)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydro-1H-imidazo[2,1- a]isoindol-5(9bH)-one (ML375).  Gentry, P.R.; Kobubo, M.; Bridges, T.M.; Kett, N. R.; Harp J.M.; Cho, H.P.; Smith, E.; Chase, P.; Hodder, P.S.; Niswender, C.M.; Daniels, J.S.; Conn, P.J.; Wood, M.R.; Lindsley, C.W. J. Med. Chem. 2013 Nov 27;56(22):9351-5.
  3. Discovery of ML326: The first sub-micromolar, selective M5 PAM. Gentry, P.R.; Bridges, T.M.; Lamsal, A.; Vinson, P.N.; Smith, E.; Chase, P.; Hodder, P. S.; Engers, J.L.; Niswender, C.M.; Daniels, J.S.; Conn, P.J.; Wood, M.R.; Lindsley, C.W. Bioorg. Med. Chem. Lett. 2013 May 15;23(10):2996-3000.
  4. High-affinity small molecule inhibitors of the menin-Mixed Lineage Leukemia (MLL) interaction closely mimic a natural protein-protein interaction. He, S.; Senter, T.J.; Pollock, J.; Han, C.; Upadhyay, S.U.; Purohit, T.; Gogliotti, R.D.; Lindsley, C.W.; Cierpicki, T.; Stauffer, S.R.; Grembecka, J. J. Med. Chem. 2014 Feb 27;57(4):1543-56.
  5. ML297 (VU0456810), the first potent and selective activator of GIRK potassium channel displays anti-epileptic properties in mice.  Kauffman, K.; Days, E.; Roamine, I.; Du, Y.; Sliwoski, G.; Morrison, R.; Denton, J.; Niswender, C.M.; Daniels, J.S.; Sulikowski, G.; Xie, S.; Lindsley, C.W.; Weaver, C.D. ACS Chem. Neurosci. 2013 Sep 18;4(9):1278-86.
  6. M4 mAChR-mediated modulation of glutamatergic transmission at corticostriatal synapses. Pancani, T.; Bolarinwa, C.; Smith, Y.; Lindsley, C.W.; Conn, P.J.; Xiang, Z. ACS Chem. Neurosci. 2014 Apr 16;5(4):318-24.
  7. Discovery of a novel series of GIRK1/2 and GIRK1/4 activators.  Ramos-Hunter, S.J.; Engers, D.W.; Kaufmann, K.; Du, Y.; Lindsley, C.W.; Weaver, C.D.; Sulikowski,G.A. Bioorg. Med. Chem. 2013 Sep 15;23(18):5195-8.
  8. TRPC5 inhibition protects the kidney filter. Schaldecker, T.; Kim, S.; Tarabanis, C.; Tian, D.; Hakroush, S.; Castonguay, P.; Ahn, W.; Wallentin, H.; Heid, H.; Hopkins, C. R.; Lindsley, C. W.; Riccio, A.; Buvall, L.; Weins, A.; Greka, A.  J. Clin. Invest. 2013 Dec 2;123(12):5298-309.
  9. Exploration of allosteric agonism structure-activity relationships within an acetylene series of metabotropic glutamate receptor 5 (mGlu5) positive allosteric modulators (PAMs): discovery of 5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3- yl)picolinamide (ML254). Turlington, M.; Noetzel, M.J.; Chun, A.; Zhou, Y.; Gogliotti, R.D.; Nguyen, E.D.; Gregory, K.J.; Vinson, P. N.; Rook, J.M.; Gogi, K.K.; Xiang, Z.; Bridges, T.M.; Daniels, J.S.; Jones, C.; Niswender, C.M.; Meiler, J.; Conn, P.J.; Lindsley, C.W.; Stauffer, S.R. J. Med. Chem. 2013 Oct 24;56(20):7976-96.
  10. Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: identification of ML300 and non-covalent nanomolar inhibitors with an induced-fit binding.  Turlington, M.; Chun, A.; Tokars, V.; Jacobs, J.; Daniels, J.S.; Dawson,E.; Saldanha, A.; Chase, P.; Eggler, A.; Baez-Santos, Y.M.; Tomar, S.; Mielechg, A.M.; Bakerg, S.C.; Lindsley, C.W.; Hodder, P.; Mesecar, A.; Stauffer, S.R. Bioorg. Med. Chem. Lett., 2013 Nov 15;23(22):6172-7.
  11. Discovery of ‘Molecular Switches’ within a GIRK activator scaffold that afford the first selective GIRK inhibitors. Wen, W.; Wu, W.; Kaufmann, K.; Du, Y.; Sulikowski, G.A.; Weaver, C.D.; Lindsley, C.W. ’ Bioorg. Med. Chem. Lett. 2013 Aug 15;23(16):4562-6.
  12. Discovery of (R)-(2-fluoro-4-((-4-methoxyphenyl)ethynyl)phenyl)(3-hydroxypiperidin-1-yl)methanone (ML337), an mGlu3 selective and CNS penetrant negative allosteric modulator (NAM). Wenthur, C.J.; Niswender, C.M.; Morrison, R.; Daniels, J.S.; Conn, P.J.; Lindsley, C.W. J. Med. Chem. 2013 Jun 27;56(12):5208-12.
  13. Dynamic subunit stoichiometry confers a progressive continuum of pharmacological sensitivity by KCNQ channels. Yu, H.; Lin, Z.; Mattmann, M.E.; Zou, B.; Wu, M.; McManus, O.B.; Lindsley, C.W.; Hopkins, C.R.; Li, M. Proc. Natl. Acad. Sci. USA. 2013 May 21;110(21):8732-7.

2012

Broad

  1. Cinnamides as selective small molecule inhibitors of a cellular model of breast cancer stem cells. Germain, AR., Carmody, LC., et.al. Bioorg Med Chem Lett., 2013 Mar 15:23(6): 1834-8.
  2. Identification of a selective small molecule inhibitor of breast cancer stem cells. Germain, AR., Carmody, LC., et.al. Bioorg Med Chem Lett., 2012 May 15;22(10):3571-4.
  3. A Potent and Selective Quinoxalinone-Based STK33 Inhibitor Does Not Show Synthetic Lethality in KRAS Dependent Cells. Weiwer, M., Spoonamore, J., et.al. ACS Med Chem Lett., 2012 Dec 13;3(12):1034-1038.

Burnham

  1. Discovery of Small Molecule Kappa Opioid Receptor Agonist and Antagonist Chemotypes through a HTS and Hit Refinement Strategy. Frankowski, KJ., Hedrick, MP., Gosalia, P., Li, KL., Shi, SH., Whipple, D., Ghosh, P., Prisinzano, TE.,Schoenen, FJ., Su, Y., Vasile, S., Sergienko, E., Gray, W., Hariharan, S., Milan, L., Heynen-Genel, S., Mangravita-Novo, A., Vicchiarelli, M., Smith, LH., Streicher, JM., Caron, MG., Barak, LS., Bohn, LM., Chung, TDY., Aube, J. ACS Chem Neurosci., 2012 Mar 21;3(3):221-236.
  2. Discovery of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-nitrobenzoate (ML221) as a functional antagonist of the apelin (APJ) receptor. Maloney, P., Khan, P., Hedrick, M., Gosalia, P., Milewski, M., Li, L., Roth, G.P., Sergienko, Suyama, E., Sugarman, E., Nguyen, K., Mehta, A., Vasile, S., Su, Y., Stonich, D., Nguyen, H., Zeng, F-Y., Mangravita, Novo A., Vicchiarelli, M., Diwan, J., Chung, T.D.Y., Smith, L.H., Pinkerton, A.B. Bioorg Med Chem Lett., 2012 Nov 1;22(21):6656-60.
  3. Discovery of a Plasmodium falciparum Glucose-6-phosphate Dehydrogenase 6-phosphogluconolactonase Inhibitor (R,Z)-N-((1-Ethylpyrrolidin-2-yl)methyl)-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxamide (ML276) That Reduces Parasite Growth in Vitro. Preuss, J., Maloney, P., Peddibhotla, S., Hedrick, M.P., Hershberger, P., Gosalia, P., Milewski, M., Li, Y.L., Sugarman, E., Hood, B., Suyama, E., Nguyen, K., Vasile, S., Sergienko, E., Mangravita-Novo, A., Vicchiarelli, M., McAnally, D., Smith, L.H., Roth, G.P., Diwan, J., Chung, T.D., Jortzik, E., Rahlfs, S., Becker, K., Pinkerton, A.B., Bode, L. J Med Chem., 2012 Aug 23;55(16):7262-72.
  4. Identification and Characterization of Novel Human Glucose-6-Phosphate Dehydrogenase Inhibitors. Preuss, J., Richardson, A.D., Pinkerton, A., Hedrick, M. Sergienko, E., Rahlfs, S., Becker, K. Bode, L. J Biomol Screen., 2013 Mar;18(3):286-97.
  5. Computational tools and resources for metabolism-related property predictions. 2. Applications to prediction of half-life time in human liver microsomes. Zakharov, AV., Peach, ML., Sitzmann, M., Filippov, IV., McCartney, HJ., Smith, LH., Pugliese, A., Nicklaus, MC. Future Med Chem. 2012 Oct;4(15):1933-44.

Hopkins

  1. Calcium-activated chloride channel TMEM16A modulates mucin secretion and airway smooth muscle contraction. Huang, F., Zhang, H., Wu, M., Yang, H., Kudo, M., Peters, CJ., et al. Proc Natl Acad Sci USA, 2012; 109 (40): 16354-9.
  2. Identification of (R)-N- (4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide, ML277, as a novel, potent and selective K(v)7.1 (KCNQ1) potassium channel activator. Mattmann, ME., Yu, H., Lin, Z., Xu, K., Huang, X., Long, S., et al. Bioorg Med Chem Lett., 2012; 22 (18): 5936-41.

Kansas

  1. A Competitive Nucleotide Binding Inhibitor: In vitro Characterization of Rab7 GTPase Inhibition. Agola, J.O.; Honh, L.; Surviladze, Z.; Ursu, O.; Waller, A.; Strouse, J.J.; Simpson, D.S.; Schroeder, C.E.; Oprea, T.L; Golden, J.E.; Aube, J.; Buranda, T.; Sklar, L.A.; Wandinger-Ness, A.  ACS Chem. Biol. 2012, 7 (6), p 1095-1108.
  2. Structure-Activity Relationship Study Reveals ML240 and ML241 as Potent and Selective Inhibitors of p97 ATPase. Chou, T.-F.; Li, K.; Frankowski, K. J.; Schoenen, F. J.; Deshaies, R. J. ChemMedChem, February 2013, 8 (2), pp 297-312.
  3. A cell based high-throughput screening approach for the discovery of new inhibitors of respiratory syncytial virus. Chung, D. H.; Moore, B. P.; Matharu, D. S.; Golden, J. E.; Maddox, C; Rasmussen, L.; Sosa, M. I.; Ananthan, S.; White, E. L.; Jia, F.; Jonsson, C. B.; Severson, W. E. Virol. J., 2013, 10(1):19.
  4. Characterization of a Cdc42 GTPase Inhibitor and its Use as a Molecular Probe. Hong, L.; Kenney, S. K.; Philips, G. K.; Simpson, D.; Schroeder, C. E.; Noth, J.; Romero, E.; Swanson, S.; Waller, A.; Strouse, J. J.; Carter, M.; Chigaev, A.; Ursu, O.; Oprea, T.; Hjelle, B.; Golden, J. E.; Aube, J.; Hudson, L. G.; Buranda, T.; Sklar, L. A.; Wandinger-Ness, A., J. Biol. Chem. 2013 Mar 22;288(12):8531-43.
  5. (S)-N-(2,5-Dimethylphenyl)-1-(quinoline-8-ylsulfonyl)pyrrolidine-2-carboxamide as a Small Molecule Inhibitor Probe forthe Study of Respiratory Syncytial Virus Infection. Moore, B. P.; Chung, D. H.; Matharu, D. S.; Golden, J. E.; Maddox, C; Rasmussen, L.; Noah, J. W.; Sosa, M. I.; Ananthan, S.; Tower, N. A.; White, E. L.; Jia, F.; Prisinzano. T. E.; Aube, J.; Jonsson, C. B.; Severson, W. E., J. Med. Chem. 2012, 55 (20), pp 8582-8587.
  6. Identification and Analysis of Hepatitis C Virus NS3 Helicase Inhibitors Using Nucleic Acid Binding Assays. Mukherjee, S.; Hanson, A. M.; Shadrick, W. R.; Ndjomou, J.; Sweeney, N. L.; Hernandez, J. J.; Bartczak, D.; Li, K.; Frankowski, K. J.; Heck, J. A.; Arnold, L. A.; Schoenen, F. J.; Frick, D. N. Nucleic Acids Res., 2012, 40 (17), pp 8607-8621.

NCGC

  1. Diverse Small Molecule Inhibitors of Human Apurinic/apyrimidinic Endonuclease APE1 Identified from a Screen of a Large Public Collection. Dorjsuren, D., Kim, D., Vyjayanti, VN., Maloney, DJ., Jadhav, A., Wilson, III DM., Simeonov, A. PLoS One. 7(10):e47974.
  2. Targeting the JMJD2 histone demethylases to epigenetically control herpesvirus infection and reactivation from latency. Liang, Y., Vogel, JL., Rai, G., Jadhav, A., Simeonov, A., Maloney, DJ., Kristie, TM. Sci Transl Med. 5(167):167ra5.
  3. A 1536-well quantitative high-throughput screen to identify compounds targeting cancer stem cells. Mathews, LA., Keller, JM., Goodwin, BL., Guha, R., Shinn, P., Mull, R., Thomas, CJ., de Kluyver, RL., Sayers, TJ., Ferrer, M. J Biomol Screen., 17(9):1231-42.
  4. High-Throughput Screen Identifies Cyclic Nucleotide Analogs That Inhibit Prostatic Acid Phosphatase. McCoy, ES., Lea, WA., Mott, BT., Maloney, DJ., Jadhav, A., Simeonov, A., Zylka, MJ. J Biomol Screen., 18(4):481-9.
  5. A Small Molecule Inhibitor of the BLM Helicase Modulates Chromosome Stability in Human Cells. Nguyen, GH., Dexheimer, TS., Rosenthal, AS., Chu, WK., Singh, DK., Masedale, G., Bachrati, C., Schultz, L., Sakurai, M., Savitsky, P., Abu, M., McHugh, PJ., Bohr, VA., Warris, CC., Jadhav, A., Gileadi, O., Maloney, DJ., Simeonov, A., Hickson, ID. Chem Biol. 20(1):55-62.
  6. A High-throughput Screening Assay using Krabbe Disease Patient Cells.  Ribbens, J., Whiteley, G., Furuya, H., Southall, N., Hu, X., Marugan, JJ., Ferrer, M., Maegawa, GHB. Anal Biochem. 434(1):15-25.
  7. Discovery of a Novel Noniminosugar Acid α Glucosidase Chaperone Series. Xiao J, Westbroek W, Motabar O, Lea WA, Hu X, Velayati A, Zheng W, Southall N, Gustafson AM, Goldin E, Sidransky E, Liu K, Simeonov A, Ribes A, Matalonga L, Ferrer M, Marugan JJ, Tamargo RJ. J Med Chem. 55(17):7546-59.
  8. A High Throughput Sphingomyelinase Assay Using Natural Substrate.  Xu, M., Liu, K., Southall, N., Marugan, JJ., Remaley, AT., Zheng, W. Anal Bioanal Chem. 404(2):407-14.

New Mexico

  1. A Competitive Nucleotide Binding Inhibitor: In vitro Characterization of Rab7 GTPase Inhibition. Agola,  J., Hong, L., Surviladze, Z., Ursu O, Waller A, Strouse JJ, Simpson D, Schroeder C, Oprea TI, Golden J, Aube J, Buranda T, Sklar LA and Wandinger-Ness A. ACS Chem Biol, 7(6):1095-108.
  2. Identification of a small molecular inhibitor of yeast TORC1 using a HT flow cytometry based multiplex screen. Chen, J., Young, SM., Allen, C., Seeber, A., Péli-Gulli, MP., Panchaud, N., Waller, A., Ursu, O., Yao, T., Golden, JE., Strouse, JJ., Carter, MB., Kang, H., Bologa, CG., Foutz, TD., Edwards, BS., Peterson, BR., Aubé, J., Werner-Washburne, M., Loewith, RJ., De Virgilio, C., Sklar, LA.  ACS Chem Biol, 7(4):715-22.
  3.  Aspects of VLA-4 and LFA-1 regulation that may contribute to rolling and firm adhesion. Chigaev, A., and Sklar, LA., Front. Immunol. 3:242.
  4. Fitting the complexity of GPCRs modulation into simple hypotheses of ligand design. Custodi, C., Nuti, R., Oprea, TI., Macchiarulo, A. J Mol Graph Model. 38:70-81.
  5. Cluster cytometry for high-capacity bioanalysis. Edwards, BS., Zhu, J., Chen, J., Carter, MB., Thal, DM., Tesmer, JJ., Graves, SW., Sklar, LA. Cytometry, 81(5):419-29.
  6. Flow cytometry enables a high-throughput homogeneous fluorescent antibody-binding assay for cytotoxic Tcell lytic granule exocytosis. Florian, AE., Lepensky, CK., Kwon, O., Haynes, MK., Sklar, LA., Zweifach, A. J Biomol Screen., 2013 Apr;18(4):420-9.
  7. Characterization of a Cdc42 GTPase inhibitor and its use as a molecular probe. Hong, L., Kenney, SR., Philips, GK., Simpson, D., Schroeder, CE., Noth, J., Romero, E., Swanson, S., Waller, A., Strouse, JJ., Carter, M., Chigaev, A., Ursu, O., Oprea, T., Hjelle, B., Golden, JE., Aube, J., Hudson, LG., Buranda, T., Sklar, LA., Wandinger-Ness, A.  J Biol Chem., 2013 Mar 22;288(12):8531-43.
  8. Antimicrobial photodynamic inactivation inhibits Candida albicans virulence factors and reduces in vivo pathogenicity. Kato, IT., Prates, RA., Sabino, CP., Fuchs, BB., Tegos, GP., Mylonakis, E., Hamblin, MR., Ribeiro, MS. Antimicrob Agents Chemother., 57(1):445-51.
  9. A chemogenomic analysis of ionization constants – implications for drug discovery.  Manallack, DT., Pankerd, RJ., Nassta, GC., Ursu, O., Oprea, TI., Chalmers, DK. Chem Med Chem. 8:242-55.
  10. Drug repurposing: far beyond new targets for old drugs. Oprea, TI., Mestres, J. AAPS J. 14:759-763.
  11. A novel HTS flow cytometric assay reveals functional modulators of the ATP binding cassette transporter ABCB6. Polireddy, K., Khan, MM., Chavan, H., Young, S., Ma, X., Waller, A., Garcia, M., Perez, D., Chavez, S., Strouse, JJ., Haynes, MK., Bologa, CG., Oprea, TI., Tegos, GP., Sklar, LA., Krishnamurthy, P.  PLoS One, 7(7):e40005.
  12. Effect of virulence factors on the photodynamic inactivation of Cryptococcus neoformans. Prates, RA., Fuchs, BB., Mizuno, K., Naqvi, Q., Kato, IT., Ribeiro, MS., Mylonakis, E., Tegos, GP., Hamblin, MR. PLoS One. 8(1):e54387.
  13. A Selective ATP-binding Cassette Sub-family G Member 2 Efflux Inhibitor Revealed Via High-Throughput Flow Cytometry. Strouse, JJ., Ivnitski-Steele, I., Njus, HM., Perez, D., Ricci, J., Yao, T., Weiner, WS., Schroeder, CE., Simpson, DS., Maki, BE., Li, K., Golden, JE., Foutz, TD., Waller, A., Evangelisti, AM., Young, SM., Chavez, SE., Garcia, MJ., Ursu, O., Bologa, CG., Carter, MB., Salas, VM., Gouveia, K., Tegos, GP., Oprea, TI., Edwards, BS., Aubé, J., Larson, RS., Sklar, LA. Journal of Biomolecular Screening, 2013 Jan;18(1):26-38.
  14. Paroxetine is a direct inhibitor of G proteincoupled receptor kinase 2 and increases myocardial contractility. Thal DM, Homan KT, Chen J, Wu EK, Hinkle PM, Huang ZM, Chuprun JK, Song J, Gao E, Cheung JY, Sklar LA, Koch WJ, Tesmer JJ. ACS Chem Biol, 2012 Nov 16;7(11):1830-9.
  15. Strategies to potentiate antimicrobial photoinactivation by overcoming resistant phenotypes. Vera, DM., Haynes, MH., Ball, AR., Dai, T., Astrakas, C., Kelso, MJ., Hamblin, MR., Tegos, GP. Photochem Photobiol., 2012 May-Jun; 88(3):499-511.
  16. Targeting the Transposase Domain of the DNA Repair Component Metnase to Enhance Chemotherapy. Williamson, EA., Damiani, L., Leitao, A., Hu, C., Hathawa, H., Oprea, TI., Sklar, L., Shaheen, M., Bauman, J., Wang, W., Nickoloff, JA., Lee, SH., Hromas, R. 2012 Dec 1;72(23):6200-8.
  17. Discovery of regulators of receptor internalization with high-throughput flow cytometry. Wu Y, Tapia PH, Fisher GW, Simons PC, Strouse JJ, Foutz T, Waggoner AS, Jarvik J and Sklar LA. Mol Pharmacol., 2012 Oct;82(4):645-57.
  18. High-throughput flow cytometry compatible biosensor based on fluorogen activating protein technology. Wu, Y., Tapia, PH., Fisher, GW., Waggoner, AS., Jarvik, J., Sklar, LA. Cytometry, 2013 Feb;83(2):220-6.

Scripps

  1. Confirming target engagement for reversible inhibitors in vivo by kinetically tuned activity-based probes. Adibekian, A., Martin, BR., Chang, JW., Hsu, KL., Tsuboi, K., Bachovchin, DA., Speers, AE., Brown, SJ., Spicer, T., Fernandez-Vega, V., Ferguson, J., Hodder, PS., Rosen, H., Cravatt, BF. J Am Chem Soc. 2012 Jun 27;134(25):10345-10348.
  2. High Throughput Screen for Pharmacoperones of the Vasopressin Type 2 Receptor. Conn et al. J Biomol Screen. 2013 May 2.
  3. Novel inhibitors for PRMT1 discovered by high-throughput screening using activity-based fluorescence polarization. Dillon, MB., Bachovchin, DA., Brown, SJ., Finn, MG., Rosen, H., Cravatt, BF., Mowen, KA. ACS Chem Biol. 2012 Jul 20;7(7):1198-1204.
  4. SAR analysis of novel non-peptidic NPBWR1 (GPR7) antagonists. Guerrero, M., Urbano, M., Schaeffer, MT., Brown, S., Rosen, H., Roberts, E. Bioorg Med Chem Lett. 2013 Feb 1;23(3):614-619.
  5. DAGLb inhibition perturbs a lipid network involved in macrophage inflammatory responses. Hsu, K-L., Tsuboi, K., Adibekian, A., Pugh, H., Masuda, K., Cravatt, BF. Nat Chem Biol. 2012 Oct 28 2012 Dec;8(12):999-1007.
  6. Discovery, synthesis, and structure-based optimization of a series of N-(tert-butyl)-2-(N-arylamido)-2-(pyridin-3-yl) acetamides (ML188) as potent noncovalent small molecule inhibitors of the severe acute respiratory syndrome coronavirus (SARS-CoV) 3CL protease. Jacobs, J., Grum-Tokars, V., Zhou, Y., Turlington, M., Saldanha, SA., Chase, P., Eggler, A., Dawson, ES., Baez- Santos, YM., Tomar, S., Mielech, AM., Baker, SC., Lindsley, CW., Hodder, P., Mesecar, A., Stauffer, SR. J Med Chem. 2013 Jan 24;56(2):534-546.
  7. Novel Selective Allosteric and Bitopic Ligands for the S1P(3) Receptor. Jo, E., Bhhatarai, B., Repetto, E., Guerrero, M., Riley, S., Brown, SJ., Kohno, Y., Roberts, E., Schürer, SC., Rosen, H. ACS Chem Biol. 2012 Dec 21;7(12):1975-1983.
  8. Small molecule amides as potent ROR-γ selective modulators. Khan PM, El-Gendy Bel-D, Kumar N, Garcia-Ordonez R, Lin L, Ruiz CH, Cameron MD, Griffin PR, Kamenecka TM. Bioorg Med Chem Lett.,  2013 Jan 15;23(2):532-536.
  9. Selective inhibitors and tailored activity probes for lipoprotein-associated phospholipase A(2). Nagano, JM., Hsu, KL., Whitby, LR., Niphakis, MJ., Speers, AE., Brown, SJ., Spicer, T., Fernandez-Vega, V., Ferguson, J., Hodder, P., Srinivasan, P., Gonzalez, TD., Rosen, H., Bahnson, BJ., Cravatt, BF. Bioorg Med Chem Lett. 2013 Feb 1;23(3):839-843.
  10.  HDX workbench: software for the analysis of H/D exchange MS data. Pascal, BD., Willis, S., Lauer, JL., Landgraf, RR., West, GM., Marciano, D., Novick, S., Goswami, D., Chalmers, MJ., Griffin, PR. J Am Soc Mass Spectrom. 2012 Sep;23(9):1512-1521.
  11. Identification of a Selective RORγ Ligand That Suppresses T(H)17 Cells and Stimulates T Regulatory Cells. Solt, LA., Kumar, N., He, Y., Kamenecka, TM., Griffin, PR., Burris, TP.  ACS Chem Biol. 2012 Sep 21;7(9):1515-1519.
  12. Design, synthesis and SAR analysis of novel potent and selective small molecule antagonists of NPBWR1 (GPR7). Urbano M, Guerrero M, Zhao J, Velaparthi S, Adrian Saldanha S, Chase P, Wang Z, Civelli O, Hodder P, Schaeffer MT, Brown S, Rosen H, Roberts E.  Bioorg Med Chem Lett., 2012 Dec 1;22(23):7135-41.

Southern Research Institute

  1. (S)-N-(2,5-Dimethylphenyl)-1-quinoline-8-ylsulfonyl)pyrrolidine-2-carboxamide as a Small Molecule Inhibitor Probe for the Study of Respiratory Syncytial Virus Infection. Blake Moore, Dong Hoon Chung, Daljit Matharu, Jennifer Golden, Clinton Maddox, Lynn Rasmussen, James Noah, Melinda Sosa, Subramaniam Ananthan, Nichole Tower, E. Lucile White, Fuli Jia, Thomas Prisinzano, Jeffrey Aubé, Colleen Jonsson and William Severson. J. Med. Chem. 20: 8582-7, 2012.

Vanderbilt

  1. Discovery of a Series of 2-phenyl-N-(2-(pyrrolidin-1-yl)phenyl)acetamides as NovelMolecular Switches that Modulate Modes of Kv7.2 (KCNQ2) Channel Pharmacology: Identificationof (S)-2-phenyl-N-(2-(pyrrolidin-1-yl)phenyl)butanamide (ML252) as a Potent, Brain PenetrantKv7.2 Channel Inhibitor. Cheung, Y.-Y.; Yu, H.; Xu, K.; Zou, B.; Wu, M.; McManus, O. B.; Li, M.; Lindsley, C. W.; Hopkins,C. R.J. Med. Chem. 2012, 55, 6975-6979.
  2. Further optimization of the K-Cl cotransporter KCC2 antagonist ML077: development of a highly selective and more potent in vitro probe. Delpire, E.; Baranczak, A.; Waterson, A.G.; Kim, K.; Kett, N.; Morrison, R.D.; Daniels, J.S.; Weaver, C.D.; Lindsley, C.W. Bioorg Med Chem Lett. 2012, 22(14), 4532-4535.
  3. Chemical modification of the M1 agonistVU0364572 reveals molecular switches in pharmacology and a bitopic binding mode. Digby, G. J.; Utley, T. J.; Lamsal, A.; Sevel, C.; Sheffler, D. J.; Lebois, E. P.; Bridges, T. M.; Wood,M. R.; Niswender, C. M.; Lindsley, C. W.; Conn, P. J. ACS Chem.Neuro., 2012, 3, 1025-1036.
  4. Synthesis and structureactivityrelationships of a novel and selective bone morphogenic protein receptor (BMP) inhibitorderived from the pyrazolo[1.5-a]pyrimidine scaffold of Dorsomorphin: The discovery of ML347 asan ALK2 versus ALK3 selective MLPCN probe., Engers, D. W.; Frist, A. Y.; Lindsley, C. W.; Hong, C. H.; Hopkins, C. R. Bioorg. Med. Chem. Lett. 2013 Jun 1;23(11):3248-52.
  5. Discovery of ML326:the first sub-micromolar, highly selective M5 PAM. Gentry, P. R.; Bridges, T. M.; Lamasal, A.; Vinson, P. N.; Hodder, P. S.; Engers, J. L.; Rosen, H.;Niswender, C. M.; Daniels, J. S.; Conn, P. J.; Wood, M. R.; Lindsley, C. W.  Bioorg. Med. Chem. Lett. 2013 May 15;23(10):2996-3000.
  6. S. R. Discovery, synthesis, andstructure-based optimization of a series of N-(tert-butyl)-2-(N-arylamido)-2-(pyridin-3-yl) acetamides(ML188) as potent noncovalent small molecule inhibitors of the Severe Acute RespiratorySyndrome Coronavirus (SARS-CoV) 3CL protease. Jacobs, J.; Tokars, V.; Zhou, Y.; Turlington, M.; Saldanha, S. A.; Chase, P.; Eggler, A.; Dawson, E.S.; Baez, Y.; Lindsley, C. W.; Hodder, P.; Mesecar, A.; Stauffer. J. Med. Chem. 2013 Jan 24;56(2):534-46.
  7. Discovery of a selective M4 positive allostericmodulator based on the 3-amino-thieno[2,3-b]pyridine-2-carboxamide scaffold: Development of ML253, a potent and brain penetrant compound that is active in a preclinical model ofschizophrenia. Le, U.; Melancon, B. J.; Bridges, T. M.; Vinson, P. N.; Utley, T. J.; Lamsal, A.; Rodriguez, A. L.;Venable, D.; Sheffler, D. J.; Jones, C. K.; Blobaum, A. L.; Wood, M. R.; Daniels, J. S.; Conn, P. J.;Niswender, C. M.; Lindsley, C. W.; Hopkins, C. R. Bioorg. Med. Chem. Lett. 2013 Jan 1;23(1):346-50. 
  8. Identification of (R)-N-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide, ML277, as a novel, potent and selective Kv7.1 (KCNQ1) potassium channel activator. Mattmann, M. E.; Yu, H.; Lin, Z.; Xu, K.; Huang, X.; Long, S.; Wu, M.; McManus, O. B.; Engers, D.W.; Le, U. M.; Li, M.; Lindsley, C. W.; Hopkins, C. R. Bioorg. Med. Chem. Lett. 2012 Sep 15;22(18):5936-41.
  9. Continued optimization of the MLPCN probe ML071 into highly potent agonists of the hM1 muscarinic acetylcholine receptor. Melancon, B. J.; Gogliotti, R. D.; Tarr, J. C.; Saleh, S. A.; Chauder, B. A.; Lebois, E. P.; Cho, H. P.;Utley T. J.; Sheffler, D. J.; Bridges, T. M; Morrison, R. D.; Daniels, J. S.; Niswender, C. M.; Conn,P. J.; Lindsley, C. W.; Wood, M. R. Bioorg. Med. Chem. Lett. 2012 May 15;22(10):3467-72.
  10. Development of novel M1 antagonist scaffolds through the continued optimization of the MLPCNprobe ML012. Melancon, B. J.; Utley T. J.; Sevel, C.; Mattmann, M. E.; Cheung, Y.-Y.; Bridges, T. M; Morrison, R.D.; Sheffler, D. J.; Niswender, C. M.; Daniels, J. S.; Conn, P. J.; Lindsley, C. W.; Wood, M. R.  Bioorg. Med. Chem. Lett. 2012 Aug 1;22(15):5035-40.
  11. Isatin replacements applied to the highly selective, muscarinic M(1) PAM ML137: the continued optimization of an MLPCN probe molecule. Melancon, B. J.; Poslusney, M. S.; Gentry, P. R.; Tarr, J. C.; Sheffler, D. J.; Mattmann, M. E.; Bridges, T. M.; Utley, T. J.; Daniels, J. S.; Niswender, C. M.; Conn, P. J.; Lindsley, C. W.; Wood, M.R. Bioorg. Med. Chem. Lett. 2013 Jan 15;23(2):412-6.
  12. Development of dual PLD1/2 and PLD2 selective inhibitors from a common 1,3,8-triazaspiro[4.5]decane core; Discovery of ML298 and ML299 that decrease invasivemigration in U87-MG glioblastoma cells. O’Reilly, M.C.; Scott, S.A.; Brown, K.A.; Oquin III, T.H.; Thomas, P.G.; Daniels, J.S.; Morrison R.;Brown, H.A.; Lindsley, C.W. J. Med. Chem. 2013 Mar 28;56(6):2695-9.
  13. Spirocyclic replacements for the isatin in the highly selective, muscarinic M1 PAM ML137: The continued optimization of an MLPCN probe molecule. Poslusney, M. S.; Melancon, B. J.; Gentry, P. R.; Sheffler, D .J.; Bridges, T. M.; Utley, T. J.; Daniels, J. S.; Niswender, C. M.; Conn, P. J.; Lindsley, C. W.; Wood, M. R. Bioorg. Med. Chem. Lett. 2013 Mar 15;23(6):1860-4.
  14. Identification and characterization of a compound that protects cardiac tissue from human ether-a-go-go (hERG)-related, drug-induced arrhythmias. Potet, F.; Lornic, A.; Chaigne, S.; Hopkins, C.R.; Lewis, L.M.; Venkataraman, R.; Siderov, V.; Engers, D.W.; Zhou, B.; Balser, J.R.; Li, M.; Baudenbacher, F.; Lindsley, C.W.; Weaver, C.D.; Kupershmidt, S.  J. Biol. Chem. 2012 Nov 16;287(47):39613-25.
  15. Discovery and SAR of a novel series of non-MPEP sitemGlu5 PAMs based on an aryl glycine sulfonamide scaffold. Rodriguez, A.L.; Zhou, Y.; Williams, R.; Weaver, C. D.; Vinson, P. N.; Daniels, J. S.; Dawson, E. S.;Steckler, T.; Lavreysen, H.; Mackie, C.; Bartolomé, J. M.; MacDonald, G. J.; Niswender, C. M.;Conn, P. J.; Lindsley, C. W.; Stauffer, S. R.  Bioorg. Med. Chem. Lett. 2012 Dec 15;22(24):7388-92.
  16. Unique signaling profiles of positive allosteric modulators of metabotropic glutamate receptor subtype 5 determine differences in in vivoactivity. Rook, J. M.; Noetzel, M. J.; Pouliot, W. A.; Bridges, T. M.; Vinson, P. N.; Cho, H. P.; Zhou, Y.; Gogliotti, R. D.; Manka, J. T.; Gregory, K. J.; Stauffer, S. R.; Dudek, F. E.; Xiang, Z.; Niswender, C. M.; Daniels, J. S.; Jones, C. K.; Lindsley, C. W.; Conn, P. J. Biol. Psych., 2013 Mar 15;73(6):501-9.
  17. Discovery of N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)isonicatinamide, ML293, as a novel, selective and brain penetrant positive allosteric modulator of the muscarinic 4 (M4) receptor. Salovich, J. M.; Vinson, P. N.; Sheffler, D. J.; Lamsal, A.; Utley, T. J.; Blobaum, A. L.; Bridges, T.M.; Le, U.; Jones, C. K.; Wood, M. R.; Daniels, J. S.; Conn, P. J.; Niswender, C. M.; Lindsley, C. W.; Hopkins, C. R.  Bioorg. Med. Chem. Lett. 2012 Aug 1;22(15):5084-8.
  18. Development of a novel, CNS-penetrant, metabotropic glutamate receptor 3 (mGlu3) NAM probe (ML289) derived from a closely related mGlu5 PAM. Sheffler, D.J.; Wenthur, C.J.; Bruner, J.A.; Carrington, S.J.; Vinson, P.N.; Gogi, K.K.; Blobaum,A.L.; Morrison, R.D.;, Vamos, M.; Cosford, N.D.; Stauffer, S.R.; Daniels, J.S, Niswender, C.M.;Conn, P.J.; Lindsley, C.W.  Bioorg Med Chem Lett. 2012 Jun 15;22(12):3921-5.
  19. Further exploration of M1 allosteric agonists: Subtle structural changes abolish M1 allosteric agonism and result in pan-mAChR orthosteric antagonism. Sheffler, D. J.; Sevel, C.; Le, U.; Lovell, K. M.; Tarr, J. C.; Carrington, S. J. S.; Cho, H. P.; Digby, G.J.; Niswender, C. M.; Conn, P. J.; Hopkins, C. R.; Wood, M. R.; Lindsley, C. W.  Bioorg. Med. Chem. Lett. 2013 Jan 1;23(1):223-7.
  20. Targeting selective activation of M1for the treatment of Alzheimer’s disease: Further chemical optimization and pharmacological characterization of the M1 positive allosteric modulator ML169. Tarr, J. C.; Turlington, M. L.; Reid, P. R.; Utley, T. J.; Sheffler, D. J.; Cho, H. P.; Klar, R.; Pancani,T.; Klein, M. T.; Bridges, T. M.; Morrison, R. D.; Blobaum, A. L.; Xiang, Z.; Daniels, J. S.; Niswender, C. M.; Conn, P. J.; Wood, M. R.; Lindsley, C. W.   ACS Chem. Neuro., 2012 Nov 21;3(11):884-95.

2011

Broad

  1. Synthesis of a novel suppressor of beta-cell apoptosis via diversity-oriented synthesis. Chou, DH., Duvall, JR., Gerard, B., Liu, H., Pandya, BA., Suh, BC., Forbeck, EM., Faloon, P., Wagner, BK., Marcaurelle, LA. ACS Med Chem Lett., 2011 Sep 8;2(9):698-702.
  2. Discovery of 1,3-Diaminobenzenes as Selective Inhibitors of Platelet Activation at the PAR1 Receptor. Dockendorff, C., Aisiku, O., Verplank, L., Dilks, JR., Smith, DA., Gunnink, SF., Dowal, L., Negri, J., Palmer, M., Macpherson, L., Schreiber, SL., Flaumenhaft, R. ACS Med Chem Lett., 2012 Mar 8;3(3):232-237.
  3. Identification of small-molecule inhibitors of Trypansoma cruzi replication. Germain, AR., Carmody, LC., Dockendorff, C., Galan-Rodriguez, C., Rodriguez, A., Johnston, S., Bittker, JA., MacPherson, L., Dandapani, S., Palmer, M., Schreiber, SL., Munoz, B. Bioorg Med Chem Lett., 2011 Dec 1;21(23):7197-200.
  4. Diversity-Oriented Synthesis Yields a Novel Lead for the Treatment of Malaria. Heidebrecht, RW. Jr., Mulrooney, C., Austin, CP., Barker, RH. Jr., Beaudoin, JA., Cheng, KC., Comer, E., Dandapani, S., Dick, J., Duvall, JR., Ekland, EH., Fidock, DA., Fitzgerald, ME., Foley, M., Guha, R., Hinkson, P., Kramer, M., Lukens, AK., Masi, D., Marcaurelle, LA., Su, XZ., Thomas, CJ., Weïwer, M., Wiegand, RC., Wirth, D., Xia, M., Yuan, J., Zhao, J., Palmer, M., Munoz, B., Schreiber, S. ACS Med Chem Lett., 2012 Feb 9;3(2):112-117.
  5. Enhancing the rate of a scaffold discovery with diversity-oriented prioritization. Swmidas, SJ., Calhoun, BT., Bodycombe, NE., Clemons, PA. Bioinformatics, 2011 Aug 15;27(16):2271-8.
  6. Discovery of a new molecular probe ML228: an activator of the hypoxia inducible factor (HIF) pathway. Theriault, JR., Felts, AS., Bates, BS., Perez, JR., Palmer, M., Gilbert, SR., Dawson, ES., Engers, JL., Lindsley, CW., Emmitte, KA. Bioorg Med Chem Lett., 2012 Jan 1;22(1):76-81.
  7. Overcoming fluconazole resistance in Candida albicans clinical isolates with tetracyclic indoles. Youngsaye, W., Dockendorff, C., Vincent, B., Hartland, CL., Bittker, JA., Dandapani, S., Palmer, M., Whitesell, L., Lindquist, S., Schreiber, SL., Munoz B. Bioorg Med Chem Lett., 2012 May 1;22(9):3362-5.
  8. Piperazinyl quinolines as chemosensitizers to increase fluconazole susceptibility of Candida albicans clinical isolates. Youngsaye, W., Vincent, B., Hartland, CL., Morgan, BJ., Buhrlage, SJ., Johnston, S., Bittker, JA., MacPherson, L., Dandapani, S., Palmer, M., Whitesell, L., Lindquis,t S., Schreiber, SL., Munoz B. Bioorg Med Chem Lett., 2011 Sep 15;21(18):5502-5.

Burnham

  1. Optimization and application of median filter corrections to relieve diverse spatial patterns in microtiter plate data. Bushway, PJ., Azimi, A., Heynen-Genel, S. J.Biomol Screen, 2011 Oct;16(9):1068-80.
  2. Discovery and characterization of 2-aminobenzimidazole derivatives as selective NOD1 inhibitors.Ricardo G. Correa, Pasha M. Khan, Nadav Askari, Dayong Zhai, Motti Gerlic, Brock Brown, Gavin Magnuson, Roberto Spreafico, Salvatore Albani, Eduard Sergienko, Paul W. Diaz, Gregory P. Roth, John C. Reed. Chem Biol., 2011 July 29; 18(7): 825–832.
  3. Discovery of Small Molecule Kappa Opioid Receptor Agonist and Antagonist Chemotypes through a HTS and Hit Refinement Strategy. Frankowski, KJ., Hedrick, MP., Gosalia, P., Li, K., Shi, S., Whipple, D., Ghosh, P., Prisinzano, TE., Schoenen, FJ., Su, Y., Vasile, S., Sergienko, E., Gray, W., Hariharan, S., Milan, L., Heynen-Genel, S., Mangravita-Novo, A., Vicchiarelli, M., Smith, LH., Streicher, JM., Caron, MG., Barak, LS., Bohn, LM., Chung, TD., Aubé, J. ACS Chem Neurosci., 2012 Mar 21;3(3):221-236.  
  4.  Design, synthesis and evaluation of monovalent Smac mimetics that bind to the BIR2 domain of the anti-apoptotic protein XIAP. González-López, M., Welsh, K., Finlay, D., Ardecky, RJ., Ganji, SR., Su, Y., Yuan, H., Teriete, P., Mace, PD., Riedl, SJ., Vuori, K., Reed ,JC., Cosford, ND. Bioorg Med Chem Lett., 2011 Jul 15;21(14):4332-6. 
  5. Exploratory Analysis of Kinetic Solubility Measurements of a Small Molecule Library. Guha,R., Dexheimer, T.,  Kestranek, A., Jadhav, A., Chervenak, A., Ford, M., Simeonov, A., Roth, G., Thomas, C. Bioorg Med Chem., 2011 July 1; 19(13): 4127–4134. 
  6. Identification of the GPR55 agonist binding site using a novel set of high-potency GPR55 selective ligands. Kotsikorou, .E, Madrigal, KE., Hurst, DP., Sharir, H., Lynch, DL., Heynen-Genel, S., Milan, LB., Chung, TD., Seltzman, HH., Bai, Y., Caron, MG., Barak, L., Abood, ME., Reggio, PH. Biochemistry, 2011 Jun 28;50(25):5633-47.  
  7. TR-FRET-based high-throughput screening assay for identification of UBC13 inhibitors. Madiraju, C., Welsh, K., Cuddy, MP., Godoi, PH., Pass, I., Ngo, T., Vasile, S., Sergienko, EA., Diaz, P., Matsuzawa, S., Reed, JC. J Biomol Screen, 2012 Feb;17(2):163-76. 
  8.  Discovery of a Plasmodium falciparum glucose-6-phosphate dehydrogenase 6-phosphogluconolactonase inhibitor (R,Z)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxamide (ML276) that reduces parasite growth in vitro. Preuss,. J, Maloney, P., Peddibhotla, S., Hedrick, MP., Hershberger, P., Gosalia, P., Milewski, M., Li, YL., Sugarman, E., Hood, B., Suyama, E., Nguyen, K., Vasile, S., Sergienko, E., Mangravita-Novo, A., Vicchiarelli, M., McAnally, D., Smith, LH., Roth, GP., Diwan, J., Chung, TD., Jortzik, E., Rahlfs, S., Becker, K., Pinkerton, AB., Bode, L. J Med Chem., 2012 Aug 23;55(16):7262-72.  
  9. Characterization of a novel angiogenic model based on stable, fluorescently labelled endothelial cell lines amenable to scale-up for high content screening. Prigozhina, NL., Heisel, A., Wei, K., Noberini, R., Hunter, EA., Calzolari, D., Seldeen, JR., Pasquale, EB., Ruiz-Lozano, P., Mercola, M., Price, JH. Biol Cell, 2011 Oct 1;103(10):467-81.  
  10. Inhibition of Hematopoietic Protein Tyrosine Phosphatase Augments and Prolongs ERK1/2 and p38 Activation. Sergienko, E., Xu, J., Liu, W., Dahl, R., Critton, D.,  Su, Y., Brown, B., Chan, X., Yang, L., Bobkova, E., Vasile, S., Yuan, H., Rascon, J., Colayco, S., Sidique, S., Cosford, N., Chung, T., Mustelin, T., Page, R., Lombroso,P., Tautz,L. ACS Chem Biol., 2012 February 17; 7(2): 367–377. 
  11. High-throughput fluorescence polarization assay for chemical library screening against anti-apoptotic Bcl-2 family member Bfl-1. Zhai, D., Godoi, P., Sergienko, E., Dahl, R., Chan, X., Brown, B., Rascon, J., Hurder, A., Su, Y., Chung, T.D., Jin, C., Diaz, P., Reed, J.C. J Biomol Screen., 2012 Mar;17(3):350-60.                                                                                                                                                                                                              

Hopkins

  1. hERGCentral: A large database to store, retrieve and analyze compound‐hERG channel interactions to facilitate cardiotoxicity assessment in drug development. Du, F., Yu, H., Zou, B., Babcock, J., Long, S., and Li, M. Assay Drug Dev Technol., 2011 Dec;9(6):580-8.
  2. Identification of ML204 – a novel potent antagonist that selectively modulates native TRPC4/C5 channels. Miller, M., Shi, J., Zhu, Y., Kustov, M., Tian, J., Stevens, A., Wu, M., Xu, J., Long, S., Yang, P., Zholos, A.V., Salovich, J.M., Weaver, D.C., Hopkins, C.R., Lindsley, C.W., McManus, O.B., Li, M., Zhu, M.X. J Biol Chem, 286(38), 33436‐46 (2011).
  3. Selective inhibition of the Kir2 family of inward rectifier potassiumchannels by a small molecule probe: The discovery, SAR, and pharmacological characterization of ML133. Wang, H., Wu, M., Yu, H., Long, S., Stevens, A., Engers, D.W., Sackin, H., Daniels, J.S., Dawson, E.S., Hopkins, C.R., Lindsley, C.W., Li, M., McManus, O.B. ACSChem Biol, 6(8), 845‐56 (2011).
  4. A theoretical model for calculating voltage sensitivity of ion channels and the application of Kv1.2 potassium channel. Yang, H., Gao, Z., Li, P., Yu, K., Yu, Y., Xu, T.L., and Li, M. Biophys J., 2012 Apr 18;102(8):1815-25.
  5. Discovery, synthesis, and structure‐activity relationship of a series of N‐Aryl‐bicyclo[2.2.1]heptanes‐2‐carboxamides: Characterization of ML213 as a novel KCNQ2 and KCNQ4 potassium channel opener. Yu, H., Wu, M., Townsend, S.D., Zou, B., Long, S., Daniels, J.S., Lindsley, C.W., Hopkins, C.R. McManus, O.B., Li, M. ACS ChemNeuroscience, 2011 Oct 19;2(10):572-577.
  6. Pharmacological modulation of hERG gating compensantorily restores mutant KCNQ1 causing long QT phenotype. Zhang, H., Zou, B., Yu, H., Moretti, A., Yan, W., Babcock, J., McManus, O.B., Tomaselli, G.,Laugwitz, K.L., and Li, M. Proc Natl Acad Sci USA, 2012 Jul 17;109(29):11866-71.

Kansas

  1. A Competitive Nucleotide Binding Inhibitor: In vitro Characterization of Rab7 GTPase Inhibition. Agola, J.O.; Honh, L.; Surviladze, Z.; Ursu, O.; Waller, A.; Strouse, J.J.; Simpson, D.S.; Schroeder, C.E.; Oprea, T.I.; Golden, J.E.; Aubé, J.; Buranda, T.; Sklar, L.A.; Wandinger-Ness, A. ACS Chem. Biol., 2012 Jun 15;7(6):1095-108.
  2. Identification of a Small Molecule Yeast TORC1 Inhibitor with a Multiplex Screen Based on FlowCytometry. Chen, J.; Young, S. M.; Allen, C.; Seeber, A.; Péli-Gulli, M-P.; Panchaud, N.; Waller, A.; Ursu, O.;Yao, T.; Golden, J. E.; Strouse, J. J.; Carter, M. B.; Kang, H.; Bologa, C. G.; Foutz, T. D.; Edwards,B. S.; Peterson, B. R.; Aubé, J.; Werner-Washburne, M.; Loewith, R. J.; De Virgilio, C.; Sklar, L. A. ACS Chem. Biol., 2012 Apr 20;7(4):715-22.
  3. Discovery of Small Molecule Kappa Opioid ReceptorAgonist and Antagonist Chemotypes through a HTS and Hit Refinement Strategy. Frankowski, K. J.; Hedrick, M. P.; Gosalia, P.; Li, K.; Shi, S.; Whipple, D.; Ghosh, P.; Prisinzano, T.E.; Schoenen, F. J.; Su, Y.; Vasile, S.; Sergienko, E.; Gray, W.; Hariharan, S.; Milan, L.; Heynen-Genel, S.; Mangravita-Novo, A.; Vicchiarelli, M.; Smith, L. H.; Streicher, J. M.; Caron, M. G.; Barak,L. S.; Bohn, L. M.; Chung, T. D. Y.; Aubé, J. ACS Chem.Neurosci., 2012 Mar 21;3(3):221-236.
  4. Optimization of Potent Hepatitis C Virus NS3 Helicase Inhibitors Isolated from the Yellow Dyes Thioflavine S and Primuline. Li, K.; Frankowski, K. J.; Belon, C. A.; Neuenswander, B.; Ndjomou, J.; Hanson, A. M.; Shanahan, M. A.; Schoenen, F. J.; Blagg, B. S. J.; Aubé, J.; Frick, D. N. J. Med. Chem., 2012 Apr 12;55(7):3319-30.

NCGC

  1. Diversity-Oriented Synthesis Yields a Novel Lead for the Treatment of Malaria. Heidebrecht Jr RW, Mulrooney C, Austin CP, Barker Jr. RH, Beaudoin JA, Cheng KC-C, Comer E, Dandapani S, Dick J, Duvall JR, Ekland EH, Fidock DA, Fitzgerald ME, Foley M, Guha R, Hinkson P, Kramer M, Lukens AK, Masi D, Marcaurelle LA, Su X-Z, Thomas CJ, Weïwer M, Wiegand RC, Wirth D, Xia M, Yuan J, Zhao J, Palmer M, Munoz B, Schreiber S. ACS Med Chem Lett., 3(2):112-117.
  2. Discovery, Synthesis and Biological Evaluation of Novel SMN Protein Modulators. Xiao J, Marugan JJ, Zheng W, Titus S, Southall N, Cherry JJ, Evans M, Androphy EJ, Austin CP. J Med Chem., 54(18):6215-33.

New Mexico

  1. Down-regulation of glutatione S-transferase α 4 (hGSTA4) in the muscle of thermally injured patients is indicative of susceptibility to bacterial infection. Apidianakis, Y., Que, YA., Xu, W., Tegos, GP., Zimniak, P., Hamblin, MR., Tompkins, RG., Xiao, W., Rahme, LG. FASEB J., 2012 Feb;26(2):730-7.
  2. Blue dye and red light, a dynamic combination for prophylaxis and treatment of cutaneous Candida albicans infections in mice. Dai, T., Bil de Arce, VJ., Tegos, GP., Hamblin, MR. Antimicrob Agents Chemother, 2011 Dec;55(12):5710-7.
  3. Concepts and principals of Photodynamic therapy as an alternative antifungal discovery platform Frontiers in Microbiology. Dai, T., Fuchs, HB., Coleman, JJ., Prates, RA., Astrakas, C., St Denis, TG.,Ribeiro, M., Mylonakis, E., Hamblin, MR. Tegos, GP., Front Microbiol., 2012;3:120.
  4. A novel HTS flow cytometric assay reveals functional modulators of the ATP binding cassette transporter ABCB6. Khan, MT., Polireddy, K., Young, SM., Waller, A., Perez, D., Sedillo, S., Strouse, JJ., Haynes, M., Bologa, CG., Oprea, TI., Tegos, GP., Krishnamurthy, PC., Sklar, LA. Plos One, 2012;7(7):e40005.
  5. All you need is light: antimicrobial photoinactivation as an evolving and emerging discovery strategy against infectious disease. St Denis, TG., Dai, T., Izikson, L., Astrakas, C., Anderson, RR., Hamblin, MR., Tegos, GP. Virulence, 2011 Nov-Dec;2(6):509-20.
  6.  A Fluorescent Toolbox for Flow Cytometric Evaluation of Efflux Activity and Inhibition of ABCB1, ABCC1, and ABCG2 Transporters. Strouse, JJ., Ivnitski-Steele, ID., Waller, A., Young, SM., Perez, D., Tegos, G., Bologa, CG., Carter, M., Salas, VM., Ignatius, M., Larson, RS., Oprea, TI., Edwards, BS., Sklar, LA. Analytical Biochemistry, 2013 Jun 1;437(1):77-87.
  7. A Selective ATP-binding Cassette Sub-family G Member 2 Efflux Inhibitor Revealed Via High-Throughput Flow Cytometry.  Strouse ,JJ., Ivnitski-Steele, I., Njus, HM., Perez, D., Ricci, J., Yao, T., Weiner, WS., Schroeder, CE., Simpson, DS., Maki, BE., Li, K., Golden, JE., Foutz, TD., Waller, A., Evangelisti, AM., Young, SM., Chavez, SE., Garcia, MJ., Ursu, O., Bologa, CG., Carter, MB., Salas, VM., Gouveia, K., Tegos, GP., Oprea, TI., Edwards, BS., Aubé, J., Larson, RS., Sklar, LA. Journal of Biomolecular Screening, 2013 Jan;18(1):26-38.
  8. Strategies to Potentiate Antimicrobial Photoinactivation by Overcoming Resistant Phenotypes. Vera, DM., Haynes, MH., Ball, AR., Dai, T., Astrakas, C., Kelso, MJ., Hamblin, MR., Tegos, GP. Photochem Photobiol., 2012 May-Jun;88(3):499-511.

Scripps

  1. Small-Molecule Inhibitors of Bacterial AddAB and RecBCD Helicase-Nuclease DNA Repair Enzymes. Amundsen, SK., Spicer, T., Karabulut, A.C., Londoño, L.M., Eberhardt, C., Fernandez, V., Bannister, T.D., Hodder, P., and Smith, G.R. ACS Chem Biol., 2012 May 18;7(5):879-91.
  2. Discovery and optimization of sulfonyl acrylonitriles as selective, covalent inhibitors of protein phosphatase methylesterase-1. Bachovchin, DA., Zuhl, AM., Speers, AE., Wolfe, MR., Weerapana, E., Brown, SJ., Rosen, H., Cravatt, BF. J Med Chem., 2011 Jul 28;54(14):5229-36.
  3. Identification of small-molecule inhibitors of the colorectal cancer oncogene Kruppel-Like Factor 5 expression by ultrahigh-throughput screening. Bialkowska, A., Crisp, M., Bannister, T., He, Y., Chowdhury, S., Schurer, S., Chase, P., Spicer, T., Madoux, F., Tian, C., Hodder, P., Zaharevitz, D., Yang, VW.  Mol Cancer Ther., 2011 Nov;10(11):2043-2051.
  4. Monitoring of HTS compound library quality via a highresolution image acquisition and processing instrument. Baillargeon, P., Scampavia, L., Einsteder, R., Hodder, P. Journal of the Association for Laboratory Automation (JALA), 2011 Jun;16(3):197-203.
  5. Small molecule proteostasis regulators for protein conformational diseases. Calamini, B., Silva, MC., Madoux, F., Hutt, DM., Khanna, S., Chalfant, MA., Saldanha, SA., Hodder, P., Tait, BD., Garza, D., Balch, WE., Morimoto, RI. Nat Chem Biol., 2011 Dec 25;8(2):185-196.
  6. PubChem promiscuity: a web resource for gathering compound promiscuity data from PubChem. Canny, SA., Cruz, Y., Southern, MR., Griffin, PR. Bioinformatics, 2012 Jan 1;28(1):140-141.
  7. Structure Guided Development of Novel Thymidine Mimetics Targeting Pseudomonas aeruginosa Thymidylate Kinase: From Hit to Lead Generation. Choi, JY., Plummer, MS., Starr, J., Desbonnet, CR., Soutter, H., Chang, J., Miller, JR., Dillman, K., Miller, AA., Roush, WR. J Med Chem., 2012 Jan 26;55(2):852-870.
  8. S1P1 Receptor Modulation with Cyclical Recovery from Lymphopenia Ameliorates Mouse Model of Multiple Sclerosis. Gonzalez-Cabrera, PJ., Cahalan, SM., Nguyen, N., Sarkisyan, G., Leaf, NB., Cameron, M., Kago, T., Rosen H.  Mol Pharmacol., 2012 Feb;81(2):166-174.
  9. Discovery, design and synthesis of novel potent and selective sphingosine-1-phosphate 4 receptor (S1P₄-R) agonists. Guerrero,M., Urbano, M., Zhao, J., Crisp, M., Chase, P., Hodder, P., Schaeffer, MT., Brown, S., Rosen, H., Roberts, E. Bioorg Med Chem Lett., 2012 Jan 1;22(1):537-542.
  10. Discovery, design and synthesis of the first reported potent and selective sphingosine-1-phosphate 4 (S1P(4)) receptor antagonists. Guerrero, M., Urbano, M., Velaparthi, S., Zhao, J., Schaeffer, MT., Brown, S., Rosen, H., Roberts, E. Bioorg Med Chem Lett., 2011 Jun 15;21(12):3632-3636.
  11. Crystal structure of a lipid G proteincoupled receptor. Hanson, MA., Roth, CB., Jo, E., Griffith, MT., Scott, FL., Reinhart, G., Desale, H., Clemons, B., Cahalan, SM., Schuerer, SC., Sanna, MG., Han, GW., Kuhn, P., Rosen, H., Stevens, RC. Science, 2012 Feb 17;335(6070):851-855.
  12.  Identification of SR2211: a potent synthetic RORγ selective modulator. Kumar, N., Lyda, B., Chang, MR., Lauer, JL., Solt, LA., Burris, TP., Kamenecka, T., Griffin, PR. ACS Chem Biol., 2012 Apr 20;7(4):672-7.
  13. A substrate-free activity-based protein profiling screen for the discovery of selective PREPL inhibitors. Lone, AM., Bachovchin, DA., Westwood, DB., Speers, AE., Spicer, TP., Fernandez-Vega, V., Chase, P., Hodder, PS., Rosen, H., Cravatt, BF., Saghatelian, A. J Am Chem Soc., 2011 Aug 3;133(30):11665-11674.
  14. A high-throughput assay for the identification of drugs against late-stage Plasmodium falciparum gametocytes. Peatey, CL., Spicer, T., Hodder, P., Trenholme, KR., Gardiner, DL. Mol Biochem Parasitol., 2011 Dec;180(2):127-131.
  15. High-Throughput Screening for Inhibitors of Sialyl- and Fucosyltransferases. Rillahan, CD., Brown, SJ., Register, AC., Rosen, H., Paulson, JC. Angew Chem Int Ed., 2011;50:1-5.
  16. Identification of novel, exosite-binding matrix metalloproteinase-13 inhibitor scaffolds. Roth, J., Minond, D., Darout, E., Liu, Q., Lauer, J., Hodder, P., Fields, GB., Roush, WR. Bioorg. Med. Chem. Lett., 2011 Dec;21(23):7180-7184.
  17. Endothelial cells are central orchestrators of cytokine amplification during influenza virus infection. Teijaro, JR., Walsh, KB., Cahalan, SM., Fremgen, DM., Roberts, E., Scott, FL., Martinborough, E., Peach, RJ., Oldstone, MB., Rosen, H. Cell., 2011 Sep 16;146(6):980-991.
  18. Potent and selective inhibitors of glutathione S-transferase omega 1 that impair cancer drug resistance. Tsuboi, K., Bachovchin, DA., Speers, AE., Spicer, TP., Fernandez-Vega, V., Hodder, P., Rosen, H., Cravatt, BF. J Am Chem Soc. 2011 Oct;133(41):16605-16616.
  19. Discovery, synthesis and SAR analysis of novel selective small molecule S1P4–R agonists based on a (2Z,5Z)-5-((pyrrol-3-yl)methylene)-3-alkyl-2-(alkylimino)thiazolidin-4-one chemotype. Urbano, M., Guerrero, M., Velaparthi, S., Crisp, M., Chase, P., Hodder, P., Schaeffer, MT., Brown, S., Rosen, H., Roberts, E., Bioorg. Med. Chem. Lett. 2011 Nov 15;21(22):6739-6745.
  20. SAR analysis of innovative selective small molecule antagonists of sphingosine-1-phosphate 4 (S1P(4)) receptor. Urbano, M., Guerrero, M., Zhao, J., Velaparthi, S., Schaeffer, MT., Brown, S., Rosen, H., Roberts, E.,  Bioorg Med Chem Lett. 2011 Sep 15;21(18):5470-5474.
  21. Suppression of cytokine storm with a sphingosine analog provides protection against pathogenic influenza virus.Walsh, KB., Teijaro, JR., Wilker, PR., Jatzek, A., Fremgen, DM., Das, SC., Watanabe, T., Hatta, M., Shinya, K., Suresh, M., Kawaoka, Y., Rosen, H., Oldstone, MB.  Proc Natl Acad Sci U S A, 2011 Jul 19;108(29):12018-12023.
  22. Quelling the storm: utilization of sphingosine-1-phosphate receptor signaling to ameliorate influenza virus-induced cytokine storm. Walsh, KB., Teijaro, JR., Rosen, H., Oldstone, MB. Immunol Res., 2011 Oct;51(1):15-25.
  23. Ligand-dependent perturbation of the conformational ensemble for the GPCR β(2) adrenergic receptor revealed by HDX. West, GM., Chien, EY., Katritch, V., Gatchalian, J., Chalmers, MJ., Stevens, RC., Griffin, PR. Structure, 2011 Oct 12;19(10):1424-1432.

Southern Research Institute

  1. A High-Throughput Screening Assay for Inhibitors of Bacterial Motility Identifies a Novel Inhibitor of the Na_-Driven Flagellar Motor and Virulence Gene Expression in Vibrio cholera. Rasmussen, L.,White, E.L., Pathak, A., Ayala, J. C.,  Wang, H., Wu, J. H., Benitez, J. A., and Silva, J.A., Antimicrob. Agents & Chemo. 2011 Sep;55(9):4134-43.
  2. High-throughput Screening Identifies A Bisphenol Inhibitor of SV40 Large T-Antigen ATPase Activity. Seguin, S.,  Evans, C.,  Nebane-Akah, M., McKellip, S., Ananthan, S.,  Tower, N., Sosa, M., Rasmussen, L., White, L., Maki, B.,  Matharu, D., Golden, J., Aubé, J., Brodsky, J., and Noah, J. J. Biomol. Screen,  2012 Feb;17(2):194-203.

Vanderbilt

  1.  The mGlu4 positive allosteric modulator VU0364770 produces efficacy alone and in combination with L-DOPA or an adenosine A2A antagonist in preclinical rodent models of Parkinson’s disease. Jones, C.K.; Bubser, M.; Thompson, A.D.; Dickerson, J.W.; Blobaum, A.L.; Bridges, T.M.; Morrsion, R.D.; Daniels, S.J.; Jadhav, S.; Engers, D.W.; Italiano, K.; Bode, J.; Lindsley, C.W.; Hopkins, C.R.; Conn, P.J.; Niswender, C.M. J. Pharmacol. & Exp. Ther., 2012, 340, 404-21.
  2. Development Of a Highly Selective, Orally Bioavailable and CNS Penetrant M1 Agonist Derived from the MLPCN Probe ML071. LeBois, E.P.; Sheffler, D.J.; Digby, G.J.; Melancon, B.J.; Tarr, J.C.; Cho, H.P.; Morrison, R.; Bridges, T.M.; Xiang, Z.; Daniels, J.S.; Wood, M.R.; Conn, P.J.; Lindsley, C.W.  Bioorg. Med. Chem. Lett., 2011, 21, 6451-6455.
  3. Phospholipase D as a therapeutic target in brain disorders. Lindsley, C.W.; Brown, H.A. Neuropsychopharmacology, 2012, 37, 301-302.
  4. Allosteric Modulation of 7 Transmembrane Spanning Receptors: Theory, Practice and Opportunities for CNS Drug Discovery. Melancon, B.J.; Hopkins, C.R.; Wood, M.R.; Emmitte, K.A.; Niswender, C.M.; Christopoulos, A.; Conn, P.J.; Lindsley, C.W. J. Med. Chem., 2012, 55, 1445-1464.
  5. Continued optimization of the MLPCN probe ML071 into highly potent agonists of the hM1 muscarinin acetylcholine receptor. Melancon, B.J.; Gogliotti, R.D.; Tarr, J.C.; Saleh, S.A.; Chauder, B.A.; Lebois, E.P.; Cho, H.P.; Utley, T.J.; Sheffler, D.J.; Bridges, T.M.; Morrison, R.D.; Daniels, J.S.; Niswender, C.M.; Conn, P.J.; Lindsley, C.W.; Wood, M.R.  Bioorg. Med. Chem. Lett., 2012 May 15;22(10):3467-72.
  6. Development of a More Highly Selective M1 Antagonist from the Continued Optimization of the MLPCN Probe ML012. Melancon, B.J.; Lamers, A.P.; Bridges, T.M.; Sulikowski, G.A., Utley TJ, Sheffler DJ, Noetzel MJ, Morrison RD, Scott Daniels J, Niswender CM, Jones CK, Jeffrey Conn P, Lindsley CW, Wood MR. Lindsley, Craig, W.,  Bioorg. Med. Chem. Lett. 2012, 22, 1044-1048.
  7. Identification of ML204 – a novel potent antagonist that selectively modulates TRPC4/C5 channels. Miller, M.; Shi, J.; Zhu, Y.; Kustov, M.; Tian, J-B.; Wu, M.; Xu, J.; Yang, P.; Zholos, A.V.; Hopkins, C.R.; Lindsley, C.W.; McManus, O.; Li, M.; Zhu, M.X., J. Biol Chem. 2011, 286, 33436-33446.
  8. Discovery, characterization and structure-activity-relationships of an inhibitor of inward rectifier potassium (Kir) channels with preference for Kir2.3, Kir3.x and Kir7.1. Raphemont, R.; Lonergan, D.L.; Nguyen, T.T.; Utley, T.; Lewis, L.M.; Kadakia, R.; Weaver, C.D.; Gogliotti, R.; Hopkins, C.R.; Lindsley, C.W.; Denton, J.S. Front Pharmacol., 2011, 2, 75.
  9. Phospholipase D: enzymology, signaling, and chemical modulation. Selvy, P.E.; Lavieri, R.; Lindsley, C.W.; Brown, H.A. Chem. Rev., 2011, 111, 6064-6119.
  10. Discovery of a New Molecular Probe ML228: An Activator of the Hypoxia Inducible Factor (HIF) Pathway. Theriault, J.R.; Felts, A.S. Bates, B.S.; Perez, J.; Palmer, M.; Gilbert, S.R.; Dawson, E.S.; Engers, J.L.; Lindsley, C.W.; Emmitte, K.A. Bioorg. Med, Chem. Lett., 2012, 22, 76-81.
  11. Contribution of both M1 and M4 receptors to muscarinic agonist-mediated attenuation of thecocaine discriminative stimulus in mice. Thomsen, M.; Lindsley, C.W.; Conn, P.J.; Wessell, J.; Fulton, B.S.; Wess, J.; Caine, S.B. Psychopharmacology., 2012 Apr;220(4):673-85.
  12. Synthesis and SAR of a novel metabotropic glutamate receptor 4 (mGlu4) antagonist: Unexpected ‘molecular switch’ from a closely related mGlu4 PAM scaffold.  Utley, T.; Haddenham, D.; Salovich, J.M.; Zamorano, R.; Vinson, P.N.; Lindsley, C.W.; Hopkins, C.R.; Niswender, C.M. Bioorg.Med, Chem. Lett., 2011 Dec 1;21(23):6955-9.
  13. Selective inhibition of the Kir2 family of inward rectifier potassium channels by a small molecule probe: the discovery, SAR and pharmacological characterization of ML133. Wang, H-R.; Wu, M.; Yu, H.; Long, S.; Stevens, A.; Engers, D.W.; Sakin, H.; Daniels, J.S.; Dawson, E.S.; Hopkins, C.R.; Lindsley, C.W.; Li, M.; McManus, O.B. ACS Chem. Bio., 2011 Aug 19;6(8):845-56.
  14. Roles of M1 muscarinic acetylcholine receptor subtype regulation of basal ganglia function and implications for the treatment of Parkinson’s disease. Xiang, Z.; Thompson, A.D.; Jones, C.K.; Lindsley, C.W.; Conn, P.J. J Pharmacol Exp Ther., 2011 Aug 19;6(8):845-56.
  15. The Discovery and Characterization of ML218: A Novel, Centrally Active T-Type Calcium Channel Inhibitor with Robust Effects in STN Neurons and in a Rodent Model of Parkinson’s Disease. Xiang, Z.; Thompson, A.D.; Brogan, J.T.; Schulte, M.L., Mi, D.; Lewis, L.M.; Yang, L.; Zhou, B.; Melancon, B.J.; Morrison, R.; Santomango, T.; Byers, F.; Brewer, K.; Aldrich, J.S.; Yu, H.; Dawson, E.S.; Li, M.; McManus, O.; Jones, C.K.; Daniels, J.S.; Conn, P.J.; Xie, X.; Weaver, C.D.; Lindsley, C.W. ACS Chem. Neurosci., 2011 Dec 21;2(12):730-742.
  16. Discovery, synthesis and structure activity relationship of a series of N-aryl-bicyclo[2.2.1] heptanes-2- carboxamides: Characterization of ML213 as a novel KCNQ2 and KCNQ4 potassium channel opener. Yu, H.; Wu, M.; Townsend, S.D.; McManus, O.B.; Li, M.; Lindsley, C.W.; Hopkins, C.R. ACS Chem. Neuriosci., 2011 Oct 19;2(10):572-577.

2010

Burnham

  1. Fully automated continuous flow synthesis of highly functionalized imidazo[1,2-a] heterocycles. Herath, A., Dahl, R., Cosford, N. Org Lett., 2010, 12(3): 412-5.
  2. Design and synthesis of selective inhibitors of Placental Alkaline Phosphatase. Lanier, M., Sergienko, E., Simão, A.M., Su, Y., Chung, T., Millán, J.L., Cashman, J.R. Bioorg Med Chem., 2010, 18(2): 573-579.

Hopkins

  1. Organelle-specific, rapid induction of molecular activities and membrane tethering. Komatsu, T., Kukelyansky, I., McCaffery, J.M., Ueno, T., Varela, L.C., Inoue, T. Nature Methods, 2010, 7:206-208.

Kansas

  1. Application of Kernel Functions for Accurate Similarity Search in Large Chemical Databases. Xiaohong Wang, Jun Huan, Aaron Smalter, Gerald H. Lushington, BMC Bioinformatics, 2010, Vol. 11 (Suppl 3): S8, 2010.
  2. Uptake, Distribution and Diffusivity of Reactive Fluorophores in Cells: Implications toward Target Identification. Christopher W. Cunningham, Archana Mukhopadhyay, Gerald H. Lushington, Brian S. J. Blagg, Thomas E. Prisinzano and Jeffrey P. Krise, Mol. Pharmaceutics, 2010, 7 (4), pp 1301-1310

NCGC

  1. A Highly Potent and Selective Caspase 1 Inhibitor that Utilizes a Key 3-Cyanopropanoic Acid Moiety. Boxer, M.B., Quinn, A.M., Shen, M., Jadhav, A., Leister, W., Simeonov, A., Auld, D.S., Thomas, C.J. ChemMedChem., 2010, 5(5):730-738.
  2. Evaluation of Substituted N,N0-Diarylsulfonamides as Activators of the Tumor Cell Specific M2 Isoform of Pyruvate Kinase. Boxer, M.B., Jiang, J.K., Vander Heiden, M.G., Shen, M., Skoumbourdis, A.P., Southall, N.T., Veith, H., Leister, W., Austin, C.P., Park, H.W., Inglese, J., Cantley, L.C., Auld, D.S., Thomas, C.J. J. Med. Chem., 2010, 53:1048–1055.
  3. Chronic active B-cell-receptor signalling in diffuse large Bcell lymphoma. Davis, R.E., Ngo, V.N., Lenz, G., Tolar, P., Young, R.M., Romesser, P.B., Kohlhammer, H., Lamy, L., Zhao, H., Yang, Y., Xu,W., Shaffer, A.L., Wright, G., Xiao, W., Powell, J., Jiang, J-, Thomas, C.J., Rosenwald, A., Ott, G., Muller-Hermelink, H.K., Gascoyne, R.D., Connors, J.M., Johnson, N.A., Rimsza, L.M., Campo, E., Jaffe, E.S., Wilson, W.H., Delabie, J., Smeland, E.B., Fisher, R.I., Braziel, R.M., Tubbs, R.R., Cook, J.R., Weisenburger, D.D., Chan, W.C., Pierce, S.K., Staudt, L.M. Nature, 2010, 463(7277):88-92.
  4. Quantitative Analyses of Aggregation, Autofluorescence, and Reactivity Artifacts in a Screen for Inhibitors of a Thiol Protease. Jadhav, A., Ferreira, R.S., Klumpp, C., Mott, B.T., Austin, C.P., Inglese, J., Thomas, C.J., Maloney, D.J., Shoichet, B.K., Simeonov, A. J. Med. Chem., 2010, 53(1), 37-51.
  5. Activators of the Tumor Cell Specific M2 Isoform of Pyruvate Kinase. Part 2: Substituted Thieno[3,2-b]pyrrole[3,2-d]pyridazinones. Jiang, J.-K., Boxer, M.B., Vander Heiden, M.G., Shen, M., Skoumbourdis, A.P., Southall, N., Veith, H., Leister, W., Austin, C.P., Park, H.W., Inglese, J., Cantley, L.C., Auld, D.S., Thomas, C.J. J. Med. Chem., 2010, 53(3): 1048–1055
  6. A Multiplex Calcium Assay for Identification of GPCR Agonists and Antagonists. Liu, K., Southall, N., Titus, S.A., Inglese, J., Eskay, R.L., Shinn, P., Austin, C.P., Heilig, M.A., Zheng, W. Assay Drug Dev Technol., 2010, 8(3): 367-379.
  7. Evaluation of 2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one analogues as GAA activators. Marugan, J.J., Zheng, W., Motabar, O., Southall, N., Goldin, E., Sidransky, E., Aungst, R.A., Liu, K., Sadhukhan, S.K., Austin, C.P. Eur J Med Chem., 2010, 45(5):1880-1897.
  8. Identification of known drugs that act as inhibitors of NF-κB signaling and their mechanism of action. Miller, S.C., Huang, R., Sakamuru, S., Shukla, S.J., Attene-Ramos, M.S. Shinn, P., Van Leer, D., Leister, W., Austin, C.P., Xia, M. Biochem Pharmacol, 2010, 79:1272-1280.
  9. Identification and Optimization of Inhibitors of Trypanosomal Cysteine Proteases: Cruzain, Rhodesain, and TbCatB. Mott, B.T., Ferreira, R.S., Simeonov, A., Jadhav, A., Ang, KK-H., Leister, W., Shen, M., Silveira, J.T., Doyle, P.S., Arkin, M.R., McKerrow, J.H., Inglese, J., Austin, C.P., Thomas, C.J., Shoichet, B.K., Maloney, D.J. Journal of Medicinal Chemistry, 2010, 53(1), 52- 60.
  10. A Chemiluminescence-based Method for Identification of Histone Lysine Methyltransferase Inhibitors. Quinn, A., Allali-Hassani, A., Vedadi, M., Simeonov, Molecular BioSystems, 2010, 6(5): 782-788.
  11. A homogeneous method for investigation of methylation-dependent protein-protein interactions in epigenetics. Quinn, A.M., Bedford, M.T., Espejo, A., Spannhoff, A., Austin, C.P., Oppermann, U., Simeonov, A. Nucleic Acids Res., 2010, 38(2):e11.
  12. A miniaturized screen for inhibitors of Jumonji histone demethylases. Sakurai, M., Rose, N.R., Schultz, L., Quinn, A.M., Jadhav, A., Ng, S.S., Oppermann, U., Schofield, C.J., Simeonov, A. Mol Biosyst., 2010, 6(2):357-64.
  13. A Strategy to Discover Inhibitors of Bacillus subtilis Surfactin-type Phosphopantetheinyl Transferase. Yasgar, A., Foley, T., Jadhav, A., Inglese, J., Burkart, M., Simeonov, A. Mol. BioSyst., 2010, 6(2): 365-375.
  14. A High- Throughput 1,536-Well Luminescence Assay for Glutathione S-Transferase Activity.Yasgar, A., Shultz, J., Zhou, W., Wang, H., Huang, F., Murphy, N., Abel, E.L., DiGiovanni, J., Inglese, J., Simeonov, A. ASSAY and Drug Development Technologies,2010, 8(2): 200-211.
  15. A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. Neumann S, Huang W, Eliseeva E, Titus S, Thomas CJ, Gershengorn MC. Endocrinology. 2010 Jul;151(7):3454-9. Epub 2010 Apr 28.
  16. Apparent activity in high-throughput screening: origins of compound-dependent assay interference. Thorne N, Auld DS, Inglese J. Curr Opin Chem Biol. 2010 Jun;14(3):315-24." Epub 2010 Apr 22.
  17. Analysis of eight oil spill dispersants using rapid, in vitro tests for endocrine and other biological activity. Judson RS, Martin MT, Reif DM, Houck KA, Knudsen TB, Rotroff DM, Xia M, Sakamuru S, Huang R, Shinn P, Austin CP, Kavlock RJ, Dix  Environ Sci Technol. 2010 Aug 1;44(15):5979-85.
  18. Selective Modulation of Gq/Gs pathways by Naphtho Pyrano Pyrimidines As Antagonists of the Neuropeptide S Receptor. McCoy JG, Marugan JJ, Liu K, Zheng W, Southall N, Huang W, Heilig M, Austin CP. ACS Chem. Neurosci., 2010, 1 (8), pp 559-574
  19. Protein Lysine Methyltransferase G9a Inhibitors: Design, Synthesis, and Structure Activity Relationships of 2,4-Diamino-7-aminoalkoxy-quinazolines. Liu F, et al. J Med Chem. 2010 Aug 12;53(15):5844-57.
  20. Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. Ferreira RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ, Shoichet BK. J Med Chem. 2010 Jul 8;53(13):4891-905.
  21. Preparation of FRET reporters to support chemical probe development. Foley TL, Yasgar A, Garcia CJ, Jadhav A, Simeonov A, Burkart MD. Org Biomol Chem. 2010 Oct 21;8(20):4601-6.
  22. Discovery of Potent and Selective Inhibitors of Human Reticulocyte 15-Lipoxygenase-1. Rai G, Kenyon V, Jadhav A, Schultz L, Armstrong M, Jameson JB, Hoobler E, Leister W, Simeonov A, Holman TR, Maloney DJ. J Med Chem. 2010 Sep 24.
  23. Illuminating Insights into Firefly Luciferase and Other Bioluminescent Reporters Used in Chemical Biology. Thorne N, Inglese J, Auld DS. Chem Biol. 2010 Jun 25;17(6):646-57
  24. The future of toxicity testing: a focus on in vitro methods using a quantitative high-throughput screening platform. Shukla SJ, Huang R, Austin CP, Xia M. Drug Discov Today. 2010 Aug 11
  25. The skin cancer chemotherapeutic agent ingenol-3-angelate (PEP005) is a substrate for the epidermal multidrug transporter (ABCB1) and targets tumor vasculature. Li L, Shukla S, Lee A, Garfield SH, Maloney DJ, Ambudkar SV, Yuspa SH. Cancer Res. 2010 Jun 1;70(11):4509-19
  26. Comprehensive Survey of Chemical Libraries for Drug Discovery and Chemical Biology: 2009. Dolle RE, Bourdonnec BL, Worm K, Morales GA, Thomas CJ, Zhang W. J Comb Chem. 2010 Oct 5.
  27. Calcium-sensing receptor is a physiologic multimodal chemosensor regulating gastric G-cell growth and gastrin secretion. Feng J, Petersen CD, Coy DH, Jiang JK, Thomas CJ, Pollak MR, Wank SA. Proc Natl Acad Sci U S A. 2010 Oct 12;107(41):17791-6.

New Mexico

  1. Discovery of selective probes and antagonists for G-protein-coupled receptors FPR/FPRL1 and GPR30. Arterburn, J.B., Oprea, T.I., Prossnitz, E.R., Edwards, B.S., Sklar, L.A. Current Topics in Medicinal Chemistry, 2010, 9:1227-36.
  2. Real-time partitioning of octadecyl rhodamine B into bead-supported lipid bilayer membranes revealing quantitative differences in saturable binding sites in DOPC and 1:1:1 DOPC/SM/cholesterol membranes. Buranda T, Wu Y, Perez D, Chigaev A, Sklar LA. Journal of Physical Chemistry B, 2010, 114:1336-49.
  3. iPHACE: integrative navigation in pharmacological space.Garcia-Serna, R., Ursu, O., Oprea, T.I., Mestres, J. Bioinformatics, 2010, Feb 15. [Epub]
  4. Identification of inhibitors of vacuolar proton-translocating ATPase pumps in yeast by high-throughput screening flow cytometry. Johnson, R.M., Allen, C., Melman, S.D., Waller, A., Young, S.M., Sklar, L.A., Parra, K.J. Analytical Biochemistry, 2010, 398:203-11.
  5. Conformational mAb as a tool for integrin ligand discovery. Njus, B.H., Chigaev, A., Waller, A., Wlodek, D., Ostopovici-Halip, L., Ursu, O., Wang, W., Oprea, T.I., Bologa, C.G., Sklar, L.A. Assay and Drug Development Technologies, 2010, 7:507-15.
  6. Synthesis and characterization of iodinated tetrahydroquinolines targeting the G protein-coupled estrogen receptor GPR30. Ramesh, C., Nayak, T.K., Burai, R., Dennis, M.K., Hathaway, H.J., Sklar, L.A., Prossnitz, E.R., Arterburn, J.B. Journal of Medicinal Chemistry, 2010, 53:1004-1014.
  7. High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. Saunders MJ, Graves SW, Sklar LA, Oprea TI, Edwards BS. Assay and Drug Development Technologies, 2010, 8:37-46.
  8. Identification of a small GTPase inhibitor using a high-throughput flow cytometry bead-based multiplex assay. Surviladze, Z., Waller, A., Wu, Y., Romero, E., Edwards, B.S., Wandinger-Ness, A., Sklar, L.A. Journal of Biomolecular Screening, 2010, 15:10­20.
  9. Influence of charge on cell permeability and tumor imaging of GPR30-targeted 111 in-labelled nonsteroidal imaging agents. Nayak TK, Dennis MK, Ramesh C, Burai R, Atcher RW, Sklar LA, Norenberg JP, Hathaway HJ, Arterburn JB, Prossnitz ER. ACS Chem Biol. 2010 Jul 16; 5:681-90.
  10. Highly efficient synthesis and characterization of the GPR30-selective agonist G-1 and related tetrahydroquinoline analogs. Burai R, Ramesh C, Shorty M, Curpan R, Bologa C, Sklar LA, Oprea T, Prossnitz ER, Arterburn JB. Org Biomol Chem. 2010 May 7;8(9):2252-9.
  11. The G protein-coupled receptor GPR30 inhibits proliferation of estrogen receptor-positive breast cancer cells. Ariazi EA, Brailoiu E, Yerrum S, Shupp HA, Slifker MJ, Cunliffe HE, Black MA, Donato AL, Arterburn JB, Oprea TI, Prossnitz ER, Dun NJ, Jordan VC. Cancer Res. 2010 Feb 1;70(3):1184-94.
  12. Model-free drug-likeness from fragments. Ursu O, Oprea T. J Chem Inf Model. 2010 Aug 23;50(8):1387-94.

Penn

  1. Identification of novel inhibitors of dietary lipid absorption using zebrafish. Clifton J.D., Lucumi E., Myers M.C., Napper A., Hama K., Farber S.A., Smith A.B. 3rd, Huryn D.M., Diamond S.L., & Pack M. PLoS One. 2010, 5(8):e12386.
  2. A small-molecule oxocarbazate inhibitor of human cathepsin L blocks severe acute respiratory syndrome and ebola pseudotype virus infection into human embryonic kidney 293T cells. Shah P.P., Wang T., Kaletsky R.L., Myers M.C., Purvis J.E., Jing H., Huryn D.M., Greenbaum D.C., Smith A.B. 3rd, Bates P., & Diamond S.LMol Pharmacol. 2010, 78(2):319-24.
  3. Design, synthesis and biological evaluation of a library of thiocarbazates and their activity as cysteine protease inhibitors. Liu Z., Myers M.C., Shah P.P., Beavers M.P., Benedetti P.A., Diamond S.L., Smith A.B. 3rd, & Huryn D.M. Comb Chem High Throughput Screen. 2010, 13(4):337-51.
  4. Identification of triazinoindol-benzimidazolones as nanomolar inhibitors of the Mycobacterium tuberculosis enzyme TDP-6-deoxy-d-xylo-4-hexopyranosid-4-ulose 3,5-epimerase (RmlC). Sivendran S., Jones V., Sun D., Wang Y., Grzegorzewicz A.E., Scherman M.S., Napper A.D., McCammon J.A., Lee R.E., Diamond S.L., & McNeil M. Bioorg Med Chem. 2010, 18(2):896-908.

Scripps

  1. Oxime esters as selective, covalent inhibitors of the serine hydrolase retinoblastoma-binding protein 9 (RBBP9). Bachovchin, D.A., Wolfe, M.R., Masuda, K., Brown, S.J., Spicer, T.P., Fernandez-Vega, V., Chase, P., Hodder, P.S., Rosen, H., Cravatt, B.F. Bioorg Med Chem Lett. 2010, 20(7): 2254-2258.
  2. A High-Throughput-Screening-Compatible Assay for Activators and Inhibitors of Methionine Sulfoxide Reductase A. Brunell, D., Weissbach, H., Hodder, P., Brot, N. Assay Drug Dev Technol. 2010.
  3. Small activators reveal that TRPML3 integrates multiple stimulation modes. Grimm, C., Jörs, S., Saldanha, A., Obukhov, A.G., Pan, B., Oshima, K., Cuajungco, M.P., Chase, P., Hodder, P., Heller, S. Chem Biol. 2010,17(2):135-148.
  4. A Time-Resolved Fluorescence-Resonance Energy Transfer Assay for Identifying Inhibitors of Hepatitis C Virus Core Dimerization. Kota, S., Scampavia, L., Spicer, T., Beeler, A.B., Takahashi, V., Snyder, J.K., Porco, J.A. Jr, Hodder, P., Strosberg, A.D. Assay Drug Dev Technol. 2010, 8(1):96-105.
  5. Treatment with a sphingosine analog does not alter the outcome of a persistent virus infection. Walsh, K.B., Marsolais, D., Welch, M.J., Rosen, H., Oldstone, M.B. Virology., 2010, 397(2):260-269.
  6. Modulation of retinoic acid receptor-related orphan receptor alpha and gamma activity by 7-oxygenated sterol ligands. Wang, Y., Kumar, N., Solt, L.A., Richardson, T.I., Helvering, L.M., Crumbley, C., Garcia-Ordonez, R.A., Stayrook, K.R., Zhang, X., Novick, S., Chalmers, M.J., Griffin, P.R., Burris, T.P. J Biol Chem. 2010, 285(7): 5013-1525.
  7. A Second Class of Nuclear Receptors for Oxysterols: Regulation of RORalpha and RORgamma activity by 24S-Hydroxycholesterol. Wang, Y., Kumar, N., Crumbley, C., Griffin, P., Burris, T.P. BBA -Molecular and Cell Biology of Lipids., 1801(8): 917-923.
  8. Dynamics of the beta2-adrenergic G-protein coupled receptor revealed by hydrogen-deuterium exchange.Zhang, X., Chien, E.Y., Chalmers, M.J., Pascal, B.D., Gatchalian, J., Stevens, R.C., Griffin, P.R. Anal Chem. 2010, 82(3):1100-1108.
  9. Methods for the analysis of high precision differential hydrogen-deuterium exchange data. Chalmers M.J., Pascal B.D., Willis S., Zhanga J., Iturria S.J., Dodge J.A., and Griffin P.R. Int. J. MassSpectrom. 2010.
  10. A fluopol-ABPP HTS assay to identify PAD inhibitors. Knuckley B, Jones JE, Bachovchin DA, Slack J, Causey CP, Brown SJ, Rosen H, Cravatt BF, Thompson PR. Chem Commun. 2010 Oct 14; 46(38):7175-7.
  11. Identification of a Synthetic Agonist for the Orphan Nuclear Receptors RORalpha and RORgamma, SR1078.Wang Y, Kumar N, Nuhant P, Cameron MD, Istrate MA, Roush WR, Griffin PR, Burris TP. ACS Chem Biol. 2010 Aug 30.
  12. A novel and specific NADPH oxidase-1 (Nox1) small-molecule inhibitor blocks the formation of functional invadopodia in human colon cancer cells.Gianni D, Taulet N, Zhang H, Dermardirossian C, Kister J, Martinez L, Roush WR, Brown SJ, Bokoch G, Rosen H. ACS Chem Biol. 2010 Oct 15;5(10):981-93.
  13. Anti-diabetic drugs inhibit obesity-linked phosphorylation of PPARc by Cdk5. Jang Hyun Choi, Alexander S. Banks, Jennifer L. Estall1, Shingo Kajimura1, Pontus Bostrom, Dina Laznik, Jorge L. Ruas, Michael J. Chalmers, Theodore M. Kamenecka, Matthias Bluher, Patrick R. Griffin & Bruce M. Spiegelman. Nature. 2010 Jul 22;466(7305):451-6.
  14. NH-1,2,3-Triazole-based Inhibitors of the VIM-2 Metallo-beta-Lactamase: Synthesis and Structure-Activity Studies. Weide T, Saldanha SA, Minond D, Spicer TP, Fotsing JR, Spaargaren M, Frère JM, Bebrone C, Sharpless KB, Hodder PS, Fokin VV. ACS Med Chem Lett. 2010 Jul 8;1(4):150-154.
  15. Ligand regulation of retinoic acid receptor-related orphan receptors: implications for development of novel therapeutics.Solt LA, Griffin PR, Burris TP. Curr Opin Lipidol. 2010 Jun;21(3):204-11.
  16. A High-Throughput Screening Compatible Assay for Activators and Inhibitors of Methionine Sulfoxide Reductase A.Brunell D, Weissbach H, Hodder P, Brot N. Assay Drug Dev Technol. 2010 Jun 1.
  17. Regulation of Adipogenesis by Natural and Synthetic REV-ERB Ligands.Kumar N., Solt L.A., Wang Y., Rogers P.M., Bhattacharyya G., Kamenecka T.M., Stayrook K.R., Crumbley C., Floyd Z.E., Gimble J.M., Griffin P.R., and Burris T.P. Endocrinology. 2010 Jul; 151(7):3015-25.
  18. Small Molecule Activators of TRPML3.Grimm C, Jörs S, Saldanha SA, Obukhov AG, Pan B, Oshima K, Cuajungco MP, Chase P, Hodder P, Heller S. Chem Biol. 2010 Feb 26; 17(2):135-48.
  19. A second class of nuclear receptors for oxysterols: Regulation of RORalpha and RORgamma activity by 24S-hydroxycholesterol (cerebrosterol). Wang Y, Kumar N, Crumbley C, Griffin PR, Burris TP. Biochim Biophys Acta. 2010 Aug; 1801(8):917-23.
  20. A time-resolved fluorescence-resonance energy transfer assay for identifying inhibitors of hepatitis C virus core dimerization.Kota S, Scampavia L, Spicer T, Beeler AB, Takahashi V, Snyder JK, Porco JA, Hodder P, Strosberg AD. Assay Drug Dev Technol. 2010 Feb;8(1):96-105.
  21. Modulation of retinoic acid receptor-related orphan receptor alpha and gamma activity by 7-oxygenated sterol ligands.Wang Y, Kumar N, Solt LA, Richardson TI, Helvering LM, Crumbley C, Garcia-Ordonez RD, Stayrook KR, Zhang X, Novick S, Chalmers MJ, Griffin PR, Burris TP. J Biol Chem. 2010 Feb 12;285(7):5013-25.
  22. Oxime esters as selective, covalent inhibitors of the serine hydrolase retinoblastoma-binding protein 9 (RBBP9). Bachovchin DA, Wolfe MR, Masuda K, Brown SJ, Spicer TP, Fernandez-Vega V, Chase P, Hodder PS, Rosen H, Cravatt BF. Bioorg Med Chem Lett. 2010 Apr 1;20(7):2254-8.
  23. The benzenesulfonamide T0901317 is a novel RORa/g Inverse Agonist.Kumar N, Solt LA, Conkright JJ, Wang Y, Istrate MA, Busby SA, Garcia-Ordonez R, Burris TP, Griffin PR. Mol Pharmacol. 2010 Feb;77(2):228-36.
  24. Selective and Brain Penetrant Neuropeptide Y Y2 Receptor Antagonists Discovered by Whole-Cell High Throughput Screening. Brothers SP, Saldanha SA, Spicer TP, Cameron M, Mercer BA, Chase P, McDonald P, Wahlestedt C, Hodder PS.Mol Pharmacol. 2010 Jan;77(1):46-57.
  25. Efficient methodology for the synthesis of 3-amino-1,2,4-triazoles. Noël R, Song X, Jiang R, Chalmers MJ, Griffin PR, Kamenecka TM.J Org Chem. 2009 Oct 2;74(19):7595-7.

Southern Research Institute

  1. HTS-driven discovery of new chemotypes with West Nile Virus inhibitory activity. Chung, D.H., Jonsson, C.B., Maddox, C., McKellip, S.N., Moore, B.P., Heli, M., White, E.L., Ananthan, S., Li, Q., Feng, S., Rasmussen, L. Molecules, 2010, 15(3): 1690-1704.

Vanderbilt

  1. Differential effects of allosteric M1 muscarinic acetylcholine receptor agonists on receptor activation, arrestin 3 recruitment, and receptor downregulation Davis, A.A.; Heilman, C.J.; Brady, A.E.; Miller, N.R.; Fuerstenau-Sharpo, M.; Hanson, B.J.;  Lindsley, C.W.; Conn, P.J.; Lah, J.J.; Levey, A.I.  ACS Chem. Neurosci. 2010, 1, 542-551.
  2. Synthesis and SAR of novel, 4-(phenylsulfamoyl)phenylacetamide mGluR4 PAMs identified by functional HTS. Engers, D.W.; Gentry, P.R.; Williams, R.; Bolinger, D.L.; Weaver, C.D.; Menon, U.N.; Conn, P.J.  Lindsley, C.W.; Niswender, C.M.; Hopkins, C.R. Bioorg. Med. Chem. Lett. 2010, 20, 5175-5178
  3. Synthesis of 2,3-diarylsubstituted indazole utilizing a Suzuki cross-coupling/deprotection/N-arylation sequence. Salovich, J.A.; Lindsley, C.W.; Hopkins, C.R. Tetrahedron Lett. 2010, 51, 3796-3799.
  4. Development of a Selective Small-Molecule Inhibitor of Kir1.1, the Renal Outer Medullary Potassium Channel. Gautam Bhave, Brian A. Chauder, Wen Liu, Eric S. Dawson, Rishin Kadakia, Thuy, T. Nguyen, L. Michelle Lewis, Jens Meiler, C. David Weaver, Lisa M. Satlin, Craig W. Lindsley, and Jerod S. Denton. Mol. Pharmacol. 2010, asap article.
  5. Small-Molecule Modulators of Inward Rectifier Potassium Channels: Recent Advances and Future Possibilities.  Gautam Bhave, Daniel Lonergan, Brian A. Chauder and Jerod S. Denton.  Future Med. Chem. 2010, 2, 757-774.

2009

Burnham

  1. Triple hybrids of steroids, spiroketals, and oligopeptides as new biomolecular chimeras. Banerjee, A., Sergienko, E., Vasile, S., Gupta, V., Vuori, K., Wipf, P. Org. Lett., 2009, 11(1): 65-8.
  2. Small molecule DnaK modulators targeting the beta-domain. Cellitti, J., Zhang, Z., Wang, S., Wu, B., Yuan, H., Hasegawa, P., Guiney, D.G., Pellecchia, M. Chem Biol Drug Des., 2009, 74(4):349-57.
  3. Discovery and validation of a series of aryl sulfonamides as selective inhibitors of tissue-nonspecific alkaline phosphatase (TNAP). Dahl, R., Sergienko, E.A., Su, Y., Mostofi, Y.S., Yang, L., Simao, A.M., Narisawa, S., Brown, B., Mangravita-Novo, A., Vicchiarelli, M., Smith, L.H., O'Neill, W.C., Millán, J.L., Cosford, N. J Med Chem, 2009, 52(21):6919-25.
  4. Versatile Assays for High Throughput Screening for Activators or Inhibitors of Intracellular Proteases and their Cellular Regulators. Hayashi, H., Cuddy, M., Yip, K.W., Madiraju, C., Diaz, P., Vasile, S., Sergienko, E., Reed, J.C. PLoS One, 2009, 4(10):e7655.
  5. Chemical biology investigation of cell death pathways activated by endoplasmic reticulum stress reveals cytoprotective modulators of ASK1 Kim, I., Shu, C.W., Xu, W., Shiau, C.W., Grant, D., Vasile, S., Cosford, N.D., & Reed, J.C. J Biol Chem, 2009, 284(3):1593-1603.
  6. Lentiviral Vectors and Protocols for Creation of Stable hESC Lines for Fluorescent Tracking and Drug Resistance Selection of Cardiomyocytes. Kita-Matsu, H., Barcova, M., Prighozhina, N., Salomonis, N., Wei, K., Jacot, J.G., Nelson, B., Spiering, S., Haverslag, R., Kim, C., Talantova, M., McCulloch, A.D., Conklin, B.R., Price, J.H., Chen, H.S.V., Mercola, M. PLoS ONE, 2009, 4(4):e5046.
  7. XIAP mediates NOD signaling via interaction with RIP2. Krieg, A., Correa, R.G., Garrison, J.B., Le Negrate, G., Welsh, K., Huang, Z., Knoefel, W.T., Reed, J.C. Proc Natl Acad Sci USA, 2009, 106(34):14524-9.
  8. Engineering a leucine zipper-TRAIL homotrimer with improved cytotoxicity in tumor cells. Rozanov, D., Savinov, A., Golubkov, V., Rozanova, O., Postnova, T., Sergienko, E., Vasile, S., Aleshin, A., Rega, M., Pellecchia, M., Strongin, A. Mol. Cancer. Ther., 2009, 6:1515-25.
  9. Identification and Characterization of Novel Tissue-Nonspecific Alkaline Phosphatase Inhibitors with Diverse Modes of Action. Sergienko, E., Su, Y., Chan, X., Brown, B., Hurder, A., Narisawa, S., Millán, J.L. J Biomol Screen, 2009, 14(7):824-37.
  10. Design and synthesis of pyrazole derivatives as potent and selective inhibitors of tissue-nonspecific alkaline phosphatase (TNAP). Sidique, S., Ardecky, R., Su, Y., Narisawa, S., Brown, B., Millan, J.L., Sergienko, E., & Cosford, N.D. Bioorg Med Chem Lett, 2009, 19(1):222-225.
  11. Structure-activity relationship and improved hydrolytic stability of pyrazole derivatives that are allosteric inhibitors of West Nile Virus NS2B-NS3 proteinase. Sidique, S., Shiryaev, S., Ratnikov, B., Herath, A., Su, Y., Strongin, A., Cosford, N. Bioorg Med Chem Lett., 2009, 19(19):5773-7.
  12. Multidentate small-molecule inhibitors of vaccinia H1-related (VHR) phosphatase decrease proliferation of cervix cancer cells. Wu, S., Vossius, S., Rahmouni, S., Miletic, A.V., Vang, T., Vazquez-Rodriguez, J., Cerignoli, F., Arimura, Y., Williams, S., Hayes, T., Moutschen, M., Vasile, S., Pellecchia, M., Mustelin, T., Tautz, L. J. Med. Chem., 2009, 52(21):6716-23.

Columbia

  1. Potent inhibitors of Huntingtin protein aggregation in a cell-based assay. Rinderspacher, A., Cremona, M., Liu, Y., Deng, S., Xie, Y., Gong, G, Aulner, N., Tobben, U., Myers, K., Chung, C., Andersen, M., Vidovic, D., Schurer, S., Branden, L., Yamamoto, A., & Landry, D. Bioorg. Med. Chem. Lett., 2009, 19(6):1715-1717.
  2. Convenient preparation of N-8-quinolinyl benzemesultams as novel NK-kB inhibitors. Xie, Y., Gong, G., Liu, L., Deng, S., Rinderspacher, A., Branden, L., & Landry, D. Tetrahedron Letters, 2009, 49(14):2320-2323.

Hopkins

  1. Interrogation of phosphor-specific interaction on a high-throughput label-free optical biosensor system-Epic System. Wu, M., Long, S., Frutos, A.G., Eichelberger, M., Li, M., Fang, Y. J Recept Signal Transduct Res., 2009, 29(3-4):202-210.

NCGC

  1. A Basis for Reduced Chemical Library Inhibition of Firefly Luciferase Obtained from Directed Evolution. Auld, D., Zhang, Y., Southall, N., Rai, G., Landsman, M., Maclure, J., Langevin, D., Thomas, C., Austin, C., & Inglese, J. J Med Chem, 2009, 52(5):1450-1458.
  2. Mechanism of PTC124 activity in cell-based luciferase assays of nonsense codon suppression. Auld, D., Thorne, N., Maguire, W., & Inglese, J. Proc Natl Acad Sci USA, 2009, 106(9): 3585-3590.
  3. A dual-fluorescence high-throughput cell line system for probing multidrug resistance. Brimacombe, K., Hall, M., Auld, D.S.; Inglese, J., Austin, C., Gottesman, M., & Fung, K-L. Assay and Drug Development Technologies, 2009, 7(3):233-249.
  4. PubChem as a Source of Polypharmacology. Chen, B., Wild, D., Guha, R. Journal of Chemical Information and Modeling., 2009, 49(9): 2044-2055.
  5. Identification of aminothienopyridazine inhibitors of tau assembly by quantitative high-throughput screening. Crowe, A., Huang, W., Ballatore, C., Johnson, R., Hogan, A., Huang, R., Wichterman, J., McCoy, J., Huryn, D., Auld, D., Smith, A., Inglese, J., Troganowski, J., Austin, C., Brunden, K., & Lee, V. Biochemistry, 48(32):7732-7745.
  6. Comprehensive Survey of Chemical Libraries for Drug Discovery and Chemical Biology: 2008. Dolle, R.E., Le Bourdonnec, B., Goodman, A.J., Morales, G.A., Thomas, C.J., Zhang, W. Journal of Combinatorial Chemistry, 2009, 11(5): 739-790.
  7. A Real-time Fluorescence Method for Enzymatic Characterization of Specialized Human DNA Polymerases. Dorjsuren, D., Wilson, D.M., Beard, W.A., McDonald, J.P., Austin, C.P., Woodgate, R., Wilson, S.H., Simeonov, A. Nucleic Acids Research, 2009, 37(19):e128.
  8. Proteasome Inactivation Promotes p38 Mitogen-activated Protein Kinase-dependent Phosphatidylinositol 3-kinase Activation and Increases Interleukin-8 Production in Retinal Pigment Epithelial Cells. Fernandes, A.F., Bian, Q., Jiang, J-K., Thomas, C.J., Taylor, A., Pereira, P., Shang, F. Molecular Biology of the Cell, 2009, 20(16): 3690-3699.
  9. HTS-Compatible Beta-Lactamase Transcriptional Reporter GeneAssay for Interrogating the Heat Shock Response Pathway. Hancock, M., Xia, M., Frey, E., Sakamuru, S., & Bi, K. Current Chemical Genomics, 2009, 3: 1-6.
  10. Weighted Feature Significance (WFS): A Simple, Interpretable Model of Compound Toxicity Based on the Statistical Enrichment of Structural Features. Huang, R., Southall, N., Xia, M., Cho, M.H., Jadhav, A., Nguyen, D.T., Inglese, J., Tice, R.R., Austin, C.P. ToxSci, 2009, 112(2):385-393.
  11. High Throughput Screening (HTS) Techniques- Applications in Chemical Biology. Inglese, J., Auld, D. Wiley Encyclopedia of Chemical Biology., 2009.
  12. Reply to Peltz et al: Post-translational stabilization of the firefly luciferase reporter by PTC124 (Ataluren). Inglese, J., Thorne, N., Auld, D.S. 2009 PNAS, 2009, 106(25): E65.
  13. Enabling the Large-Scale Analysis of Qunatitative High-Throughput Screening Data. Jadhav, A. Handbook of Drug Screening, Second Edition, 2009, ed. Seethala R & Zhang L. (Informa Healthcare): 442-465.
  14. A quantitative high-throughput screen for modulators of IL-6 signaling: a model for interrogating biological networks using chemical libraries. Johnson, R., Huang, R., Jadhav, A., Southall, N., Wichterman, J., MacArthur, R., Xia, M., Bi, K., Printen, J., Austin, C., & Inglese, J. Mol. Biosyst., 2009, 5(9): 1039-1050.
  15. Tetracycline-inducible gene expression in conditionally immortalized mouse podocytes. Kajiyama, H., Titus, S., Austin, C.P., Chiotos, K., Matsumoto, T., Sakairi, T., Kopp, J.B. American Journal of Nephrology., 2009, 29(3):153-63.
  16. Toxicity Testing in the 21st Century: Implications for Human Health Risk Assessment. Kavlock, R.J., Austin, C.P., Tice, R.R. Risk Analysis, 2009, 29(4): 485-487.
  17. A High-throughput Approach for Identification of Novel General Anesthetics. Lea, W.A., Xi, J., Jadhav, A., Lu, L., Austin, C.P., Simeonov, A., Eckenhoff, R.G. PLoS One, 2009, 4(9):e7150.
  18. Discovery of a 2,4-Diamino-7-aminoalkoxyquinazoline as a Potent and Selective Inhibitor of Histone Lysine Methyltransferase G9a.Liu, F., Chen, X., Allali-Hassani, A., Quinn, A.M., Wasney, G.A., Dong, A., Barsyte, D., Kozieradzki, I., Senisterra, G., Chau, I., Siarheyeva, A., Kireev, D.B., Jadhav, A., Herold, J.M., Frye, S.V., Arrowsmith, C.H., Brown, P.J., Simeonov, A., Vedadi, M., Jin, J. Journal of Medicinal Chemistry, 2009, 52(24): 7950-7953.
  19. Monitoring compound integrity with cytochrome P450 assays and qHTS. MacArthur, R., Leister, W., Veith, H., Shinn, P., Southall, N., Austin, C., Inglese, J., & Auld, D. J Biomol Screen., 2009, 14(5): 538-546.
  20. Identification of phosphotyrosine mimetic inhibitors of human tyrosyl-DNA phosphodiesterase I by a novel AlphaScreen high-throughput assay. Marchand, C., Lee, W.A., Jadhav, A., Dexheimer, T.S., Austin, C.P., Inglese, J., Pommier, Y., & Simeonov, A. Molecular Cancer Therapeutics, 2009, 8:240-248.
  21. A new resorufin-based alpha-glucosidase assay for high-throughput screening. Motabar, O., Shi, Z., Goldin, E., Liu, K., Southall, N., Sidranksy, E., Austin, C., Griffiths, G., & Zheng, W. Anal Biochem., 2009, 390(1): 79-84.
  22. Evaluation of substituted 6-arylquinazolin-4-amines as potent and selective inhibitors of cdc2-like kinases (Clk). Mott, B.T., Tanega, C., Shen, M., Maloney, D.J., Shinn, P., Leister, W., Marugan, J.J., Inglese, J., Austin, C.P., Misteli, T., Auld, D.S., Thomas, C.J. Bioorganic & Medicinal Chemistry Letters, 2009, 19(23): 6700-6705.
  23. Small-molecule agonists for the thyrotropin receptor stimulate thyroid function in human thyrocytes and mice. Neumann, S., Huang, W., Titus, S., Krause, G., Kleinau, G., Alberobello, A., Zheng, W., Southall, N., Inglese, J., Austin, C., Celi, F., Gavrilova, O., Thomas, C., Raaka, B., & Gershengorn, M. Proc Natl Acad Sci USA, 2009, 106(30): 12471-12476.
  24. Automated high-content screening for compounds that disassemble the perinucleolar compartment. Norton, J.T., Titus, S.A., Dexter, D., Austin, C.P., Zheng, W., Huang, S. J Biomol Screen., 2009, 14(9):1045-53.
  25. Multi-gram scale synthesis of FR180204. Patnaik, S., Dietz, H.C., Zheng, W., Austin, C., Marugan, J.J. J Org Chem., 2009, 74(22):8870-3.
  26. Synthesis of Oxadiazole-2-oxide Analogues as Potential Antischistosomal Agents. Rai, G., Thomas, C. J., Leister, W., & Maloney, D. J. Tett Lett, 2009, 50(15): 1710-1713.
  27. Structure Mechanism Insights and the Role of Nitric Oxide Donation Guide the Development of Oxadiazole-2-Oxides as Therapeutic Agents against Schistosomiasis. Rai, G., Sayed, A.A., Lea, W.A., Luecke, H.F., Chakrapani, H., Prast-Nielsen, S., Jadhav, A., Leister, W., Shen, M., Inglese, J., Austin, C.P., Keefer, L., Arner, E.S., Simeonov, A., Maloney, D.J., Williams, D.L., Thomas, C.J. J Med Chem., 2009, 52(20):6474-6483.
  28. Synthesis and characterization of a new fluorogenic substrate for alpha-galactosidase. Shi, Z., Motabar, O., Goldin, E., Liu, K., Southall, N., Sidranksy, E., Austin, C., Griffiths, G., Zheng, W. Anal Bioanal Chem., 2009, 394(7): 1903-1909.
  29. Identification of pregnane X receptor ligands using time-resolved fluorescence resonance energy transfer and quantitative high-throughput screening. Shukla, S., Nguyen, D., Macarthur, R., Simeonov, A., Frazee, W., Hallis, T., Marks, B., Singh, U., Eliason, H., Printen, J., Austin, C., Inglese, J., & Auld, D. Assay Drug Dev Technol., 2009, 7(2): 143-169.
  30. Identification and characterization of inhibitors of human apurinic/apyrimidinic endonuclease APE1. Simeonov, A., Kulkarni, A., Dorjsuren, D., Jadhav, A., Shen, M., McNeill, D., Austin, C., & Wilson, D. PLoS One, 2009, 4(6):e5740.
  31. Exploration and Optimization of Substituted Triazolothiadiazines and Triazolopyridazines as PDE4 Inhibitors. Skoumbourdis, A. P., LeClair, C. A., Stefan, E., Turjanski, A. G., Maguire, W., Titus, S. A., Huang, R., Auld, D. S., Inglese, J., Austin, C. P., Michnick, S. W., Xia, M., & Thomas, C. J. Bioorg Med Chem Lett, 2009, epub.
  32. Comparison of a Bioluminescent Kinase Assays using Substrate Depletion and Product Formation. Tanega, C., Shen, M., Mott, B.T., Thomas, C.J., MacArthur, R., Inglese, J., Auld. D.S. Assay Drug Dev Technol., 2009, 7(6):606-14.
  33. Chemical safety: preparation and use of nitroacetonitrile. Thomas, C.J. Chemical & Engineering News, 2009, 87(32): 4-6.
  34. The Pilot Phase of the NIH Chemical Genomics Center: Paradigms, Profiles and Probes. Thomas, C.J., Auld, D.S., Huang, R., Huang, W., Jadhav, A., Johnson, R.L., Leister, W., Maloney, D.J., Marugan, J.J., Michael, S., Simeonov, A., Southall, N., Xia, M., Zheng, W., Inglese, J., Austin, C.P. Current Topics in Medicinal Chemistry, 2009, 9(13): 1181-1193.
  35. A new homogenous high-throughput screening assay for profiling compound activity on the human ether-a-go-go related gene channel. Titus, S., Beacham, D., Shashane, S., Southall, N., Xia, M., Huang, R., Hooten, E., Zhao, Y., Austin, C., & Zheng, W. Anal Biochem., 2009, 394(1): 30-38.
  36. Comprehensive characterization of cytochrome P450 isozyme selectivity across chemical libraries. Veith, H., Southall, N., Huang, R., James, T., Fayne, D., Artemenko, N., Shen, M., Inglese, J., Austin, C.P., Lloyd, D.G., Auld, D.S. Nat Biotechnol., 2009, 27(11):1050-5.
  37. Cardiac glycosides inhibit p53 synthesis by a mechanism relieved by Src or MAPK inhibition. Wang, Z., Zheng, M., Li, Z., Li, R., Jia, L., Xiong, X., Southall, N., Wang, S., Xia, M., Austin, C.P., Zheng, W., Xie, Z., Sun, Y. Cancer Res., 2009, 69(16):6556-64.
  38. Identification of Compounds that Potentiate CREB Signaling as Possible Enhancers of Long-Term Memory. Xia, M., Huang, R., Vicky Gou, V., Southall, N., Cho, M., Inglese, J., Austin, C.P., Nirenberg, M. Proc Natl Acad Sci USA, 2009,106(7): 2412-2417.
  39. Identification of small molecule compounds that inhibit the HIF-1 signaling pathway. Xia, M., Bi, K., Huang, R., Cho, M., Sakamuru, S., Miller, S.C., Printen, J., Austin, C.P., Inglese, J. Molecular Cancer, 2009, 8:117.
  40. A Cell-based Beta-Lactamase Reporter Gene Assay for the CREB Signaling Pathway. Xia, M., Guo, V., Huang, R., Inglese, J., Nirenberg, M., Austin, C.P. Current Chemical Genomics, 2009, 3(1): 7-12.
  41. Identification of Chemical Compounds that Induce HIF-1{alpha} Activity. Xia, M., Huang, R., Sun, Y., Semenza, G.L., Aldred, S.F., Witt, K.L., Inglese, J., Tice, R.R., Austin, C.P. Toxicol Sci., 2009, 112(1): 153-163.
  42. An AlphaScreen Based High-throughput Screen to Identify Inhibitors of Hsp90 and Cochaperone Interaction. Yi, F., Zhu, P., Southall, N., Inglese, J., Austin, C., Zheng, W., & Regan, L. Journal of Biomolecular Screening, 2009, 14(3):273-281.
  43. Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. Yuan, J., Johnson, R.L., Huang, R., Wichterman, J., Jiang, H., Hayton, K., Fidock, D.A., Wellems, T.E., Inglese, J., Austin, C.P., Su, X.-Z. Nat. Chem. Bio, 2009, 5(10):765-771.
  44. Quantitative high-throughput screening identifies inhibitors of anthrax-induced cell death. Zhu, P., Hobson, J., Southall, N., Qiu, C., Thomas, C., Lu, J., Inglese, J., Zheng, W., Leppla, S., Bugge, T., Austin, C., & Liu, S. Bioorg Med Chem., 2009, 17(14): 5139-5145.
  45. Practical Approach to Quantitative High Throughput Screening. Zheng, W., Liu, K., Inglese, J. In Seethala R and Zhang L (Eds.), Handbook of Drug Screening, second edition, Drugs and the Pharmaceutical Sciences (pp.432-441) , Informa Healthcare USA, New York (2009).
 

2008

Broad

None

Burnham

  1. A comparative analysis of standard microtiter plate reading versus imaging in cellular assays. Bushway, P., Mercola, M. & Price, J. Assay and Drug Development Technologies, 2008, 6(4): 557-567.
  2. Automated Calcium Measurements in Live Cardiomyocytes Charlot, D., Campa, V., Mercola, M., Ingermanson, R., McDonough, P.M., & Price, J.H. 2008 5th IEEE International Symposium on Biomedical Imaging: From Nano to Macro, Proceedings, ISBI, art. no. 4540996:316-319.
  3. Rapid Multistep Synthesis of 1,2,4-Oxadiazoles in a Single Continuous Microreactor Sequence. Grant D., Dahl R., Cosford, N. D. J Org Chem, 2008, 73(18): 7219-7223.
  4. High throughput synthesis of peptide α-thioesters through the use of “volatilizable” support. Li, Y., Yu, Y., Giulianotti, M., & Houghten, R.A. J Comb Chem, 2008, 10(5): 613-616.
  5. Small molecules can selectively inhibit ephrin binding to the EphA4 and EphA2 receptors. Noberini, R., Koolpe, M., Peddibhotla, S., Dahl, R., Su, Y., Cosford, N. D. P., Roth, G. P., & Pasquale, E. B. J Biol Chem, 2008, 283: 29461-29472.
  6. Crystal Structure and NMR Binding Reveal That Two Small Molecule Antagonists Target the High Affinity Ephrin-binding Channel of the EphA4 Receptor. Qin. H., Shi, J., Noberini, R., Pasquale, E. B., & Song. J. J Biol Chem, 2008, 283: 29473-29484.
  7. Digital differential interference contrast autofocus for high-resolution oil-immersion microscopy. Shen, F., Hodgson, L., Price, J.H., & Hahn, K.M. Cytommetry A, 2008, 73(7): 658-666.
  8. A TR3/Nur77 Peptide-Based High Throughput Fluorescence Polarization Screen for Small Molecule Bcl-B Inhibitors. Yip, K.W., Godoi, P.H.C., Zhai, D., Garcia, X., Cellitti, J.F., Cuddy, M., Gerlic, M., Chen, Y., Satterthwait, A., Vasile, S.,  Sergienko, E., and Reed.  J.C., J Biomol Screening, 2008, 13(7): 665-673.

Columbia (MLSCN)

None

Emory (MLSCN)

  1. Discovery of aminoquinolines as a new class of potent inhibitors of heat shock protein (Hsp90): Synthesis, biology, and molecular modeling. Ganesh, T., Min, J., Thepchatri, P., Du, Y., Li, L., Lewis, I., Wilson, L., Fu, H., Chiosis, G., Dingledine, R., Liotta, D., Snyder, J. & Sun, A. Bioorg. Med. Chem., 2008, 16(14):6903-6910.

NCGC

  1. Characterization of chemical libraries for luciferase inhibitory activity. Auld, D.S., Southall, N., Jadhav, A., Johnson R.L., Diller D., Simeonov A., Austin, C.P, & Inglese, J. Journal of Medicinal Chemistry, 2008, 10.1021/jm701302v
  2. Specific Mechanism for Nonspecific Activation in Reporter-Gene Assays. Auld, D.S., Thorne, N., Nguyen, D.T. & Inglese, J.A. Chemical Biology, 2008, 3(8): 463-470.
  3. Molecular Sensors for Transcriptional and Post-transcriptional Assays, in Chemical Genomics. Auld, D.S., & Thorne, N. Cambridge University Press, Fu, H., ed. 2008.
  4. Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against beta-Lactamase. Babaoglu, K., Simeonov, A., Irwin, J., Nelson, M., Feng, B., Thomas, C., Cancian, L., Costi, M., Maltby, D., Jadhav, A., Austin, C., Shoichet, B. J Med Chem., 2008, 51(8): 2502-2511.
  5. COPI complex is a regulator of lipid homeostasis. Beller, M., Sztalryd, C., Southall, N., Bell, M., Jackle, H., Auld, D.S. & Oliver, B. PLoS Biol, 2008, 6(11): e292. doi:10.1371/journal.pbio.0060292
  6. A bioluminescent cytotoxicity assay for assessment of membrane integrity using a proteolytic biomarker. Cho, M.H., Niles, A., Huang, R., Inglese, J., Austin, C.P., Riss, T. & Xia, M. Toxicol In Vitro, 2008, 22(4): 1099-1106.
  7. Comprehensive Survey of Chemical Libraries for Drug Discovery and Chemical Biology: 2007. Dolle, R., Le Bourdonnec, B., Goodman, A., Morales, G., Thomas, C., Zhang, W. J. Comb Chem., 2008, 10(6): 753-802.
  8. A virtual screen for diverse ligands: discovery of selective G protein-coupled receptor antagonists. Engel, S., Skoumbourdis, A.P., Childress, J., Neumann, S., Deschamps, J.R., Thomas, C.J., Colson, A.O., Costanzi, S., & Gershengorn, M.C. J Am Chem Soc, 2008, 130 (15): 5115-5123.
  9. Characterization of diversity in toxicity mechanisms using in vitro cytotoxicity assays in quantitative high throughput screening. Huang, R., Southall, N., Cho, M.H., Xia, M., Inglese, J., & Austin, C.P. Chem. Res. Toxicol., 2008, 21(3): 659–667.
  10. High Throughput Screening (HTS) Techniques: Overview of Applications in Chemical Biology. Inglese, J., & Auld, D.S. In Wiley Encyclopedia of Chemical Biology, 2008, Begley, T., ed, John Wiley & Sons, Inc.
  11. Examining the Chirality, Conformation and Selective Kinase Inhibition of 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile (CP-690,550). Jiang, J.K., Ghoreschi, K., Deflorian, F., Chen, Z., Perreira, M., Pesu, M., Smith, J., Nguyen, D.T., Liu, E.H., Leister, W., Costanzi, S., O'Shea, J.J., Thomas, C.J. Journal of Medicinal Chemistry, 2008, In press.
  12. A quantitative high-throughput screen identifies potential epigenetic modulators of gene expression. Johnson, R., Huang, W., Jadhav, A., Austin, C.P., Inglese, J., & Martinez, E.D. Analytical Biochemistry, 2008, 375: 237-248.
  13. Tetracycline-Inducible Gene Expression in Conditionally Immortalized Mouse Podocytes. Kajiyama, H., Titus, S., Austin, C., Chiotos, K., Matsumoto, T., Sakairi, T. & Kopp, J. American Journal of Nephrology, 2008, 29: 153-163.
  14. Toxicity Testing in the 21st Century: Implications for Human Health Risk Assessment. Kavlock, R.J., Austin, C.P. & Tice, R.R. Assay and Drug Development Technologies, 2008, 6: 551-555.
  15. A high throughput fluorescence polarization assay for inhibitors of the GoLoco motif/G-alpha interaction. Kimple, A.J., Yasgar, A., Hughes, M., Jadhav, A., Willard, F.S., Muller, R.E., Austin, C.P., Inglese, J., Ibeanu, G.C., Siderovski, D.P. & Simeonov, A. Comb Chem High Throughput Screen, 2008, 11(5): 396-409.
  16. A 1,536-Well-Based Kinetic HTS Assay for Inhibitors of Schistosoma mansoni Thioredoxin Glutathione Reductase.Lea, W.A., Jadhav, A., Rai, G., Sayed, A., Cass, C., Inglese, J., Williams, D., Austin, C.P. & Simeonov, A. Assay and Drug Development Technologies, 2008, 6: 551-555.
  17. Comparison on Functional Assays for Gq-coupled GPCRs by Measuring Inositol Monophospate and Intracellular Calcium in 1536-well Plate Format. Liu, K., Titus, S., Southall, N., Zhu, P., Inglese, J., Austin, C.P. & Zheng,W. Current Chemical Genomics, 2008, 1:70-78.
  18. Comparison of Raltegravir and Elvitagravir on HIV-1 Integrase Catalytic Reactions and on a Series of Drug-Resistant Integrase Mutants. Marinello, J., Marchand, C., Mott, B.T., Bain, A., Thomas, C.J., Pommier, Y. Biochemistry, 2008, 27(36): 9345-9354.
  19. A robotics platform for quantitative high-throughput screening. Michael, S., Auld, D., Klumpp, C., Jadhav, A., Zheng, W., Thorne, N., Austin, C.P., Inglese, J. & Simeonov A. Assay and Drug Development Technologies, 2008, 6(5): 637-657.
  20. A Low-Molecular-Weight Antagonist for the Human Thyrotropin Receptor with Therapeutic Potential for Hyperthyroidism. Neumann, S., Kleinau, G., Costanzi, S., Moore, S., Jiang, J.K., Raaka , B.M., Thomas, C.J., Krause, G., & Gershengorn, M.C. Endocrinology, 2008, 149(12): 5945-5950.
  21. Selective targeting of ITK blocks multiple steps of HIV replication. Readinger, J.A., Schiralli, G.M., Jiang, J.K., Thomas, C.J., August, A., Henderson, A.J. & Schwartzberg, P.L. Proc Natl Acad Sci USA, 2008, 105(18): 6684-6689.
  22. Identification of oxadiazoles as new drug leads for control of schistosomiasis. Sayed, A.A., Simeonov, A., Thomas, C.J., Inglese, J., Austin, C.P., & Williams, D.L. Nature Medicine, 2008, 14: 407-412.
  23. Quantitative high-throughput screen identifies inhibitors of the Schistosoma mansoni redox cascade. Simeonov, A., Jadhav, A., Sayed, A.A., Wang, Y., Nelson, M.E., Thomas, C.J., Inglese, J., Williams, D.L., & Austin, C.P. PLoS Negl Trop Dis, 2008, 2(1):1-10.
  24. Dual-fluorophore quantitative high-throughput screen for inhibitors of BRCT-phosphoprotein interaction. Simeonov, A., Yasgar, A., Jadhav, A., Lokesh, G.L., Klumpp, C., Michael, S., Austin, C.P., Natarajan, A., & Inglese, J. Analytical Biochemistry, 2008, 375: 60-70.
  25. Fluorescence Spectroscopic Profiling of Compound Libraries. Simeonov, A., Jadhav, A., Thomas, C.J., Wang, Y., Huang, R., Southall, N., Shinn, P., Smith, J., Austin, C.P., & Inglese, J. Journal of Medicinal Chemisty, 2008, In Press.
  26. Identification of a potent new chemotype for the selective inhibition of PDE4. Skoumbourdis, A.P., Huang, R., Southall, N., Leister, W., Guo, V., Cho, M.H., Inglese, J., Nirenberg, M., Austin, C.P., Xia, M., & Thomas, C.J. Bioorganic and Medicinal Chemistry Letters, 2008, 18 (4):1297-1303.
  27. Quantitative high-throughput screening using a live-cell cAMP assay identifies small-molecule agonists of the TSH receptor. Titus, S., Neumann, S., Zheng, W., Southall, N., Michael, S., Klumpp, C., Yasgar, A., Shinn, P., Thomas, C.J., Inglese, J., Gershengorn, M.C., & Austin, C.P. Journal of Biomolecular Screening, 2008, 13(2):120-127.
  28. A Cell-Based PDE4 Assay in 1536-Well Plate Format for High-Throughput Screening. Titus, S., Xiao, L., Southall, N., Lu, J., Inglese, J., Brasch, M., Austin , C. P. & Zheng, W. Journal of Biomolecular Screening, 2008, In press.
  29. Quantitative high-throughput screening using a live-cell cAMP assay identifies small-molecule agonists of the TSH receptor. Titus, S., Neumann, S., Zheng, W., Southall, N., Michael, S., Klumpp, C., Yasgar, A., Shinn, P., Thomas, C.J., Inglese, J., Gershengorn, M.C., Austin, C.P. J Biomol Screen., 2008, 13:120-7.
  30. Optimization and Validation of Two Miniaturized Glucocerebrosidase Enzyme Assays for High Throughput Screening. Urban, D.J., Zheng, W., Goker-Alpan, O., Jadhav, A., LaMarca, M.E., Inglese, J., Sidransky, E. & Austin, C.P. Combinatorial Chemistry & High Throughput Screening, 2008, 11(10):817-824.
  31. Compound cytotoxicity profiling using quantitative high-throughput screening. Xia, M., Huang, R., Witt, K.L., Southall, N., Fostel, J., Cho, M.H., Jadhav, A., Smith, C.S., Inglese, J., Portier, C.J., Tice, R.R., & Austin, C.P. Environmental Health Prospectives, 2008, In press.
  32. Identification of N-(quinoline-8-yl)bezenesulfonamides as agents capable of down-regulating NFkB activity within two separate high-throughput screens of NFkB activation. Xie, Y., Deng, S., Thomas, C.J., Liu, Y., Zhang, Y-Q., Rinderspacher, A., Huang, W., Gong, G., Wyler, M., Cayanis, E., Aulner, N., Tobben, U., Chung, C.,Pampou, S., Southall, N., Vidovic, D., Schurer, S.,Branden, L., Davis, R. E., Staudt, L. M., Inglese, J., Austin, C.P., Landry, D.W., Smith, D.H., & Auld, D.S. Bioorganic and Medicinal Chemistry Letters, 2008, 18: 329-335.
  33. Compound management for quantitative high-throughput screening. Yasgar, A., Shinn, P., Jadhav, A., Auld, D.S., Michael, S., Zheng, W., Austin, C.P., Inglese, J., & Simeonov, A. Journal of the Association for Laboratory Automation, 2008, 12(2): 79-89.
  34. A novel class of small molecule inhibitors of Hsp90. Yi, F., & Regan, L. ACS Chemical Biology, 2008, 3(10):645-654.
  35. A miniaturized glucocorticoid receptor translocation assay using enzymatic fragment complementation evaluated with qHTS. Zhu, P.J., Zheng, W., Auld, D.S., Jadhav, A., Macarthur, R., Olson , K.R., Peng, K., Dotimas, H., Austin, C.P., Inglese, J. Combinatorial Chemistry & High Throughput Screening, 2008, 11(7): 545-559.

New Mexico

  1. A Multifunctional Androgen Receptor Screening (MARS) Assay for the Identification of Compounds that Modulate Androgen Receptor Activity Using the High-Throughput HyperCyt® Flow Cytometry System. Dennis, M., Bowles, H., MacKenzie, D., Burchiel, S., Edwards, B., Sklar, L., Prossnitz, E., & Thompson, T. Cytometry, 2008, 7: 390-399
  2. High content screening: flow cytometry analysis. Edwards, B.S., Young, S.M., Ivnitski-Steele, I., Ye, R., Prossnitz, E. & Sklar, L. In Cell Based Assays in High-Throughput Screening. Clemons, P.A., Tolliday, N.J. & Wagner, B.K., eds. Humana Press, Inc, Totowa, NJ. In Press 2008.
  3. High-throughput flow cytometry to detect selective inhibitors of ABCB1, ABCC1, and ABCG2 transporters. Ivnitski-Steele, I., Lawson, R.S., Lovato, D.M., Khawaja, H.M., Winter, S.S., Oprea, T.I., Sklar L.A., & Edwards, B.S. Assay and Drug Development Technologies, 2008, 6(2): 263-276.
  4. Preclinical development of a neutral, estrogen receptor-targeted, tridentate 99mTc(I)-estradiol-pyridin-2-yl hydrazine derivative for imaging of breast and endometrial cancers. Nayak, T.K., Hathaway, H.J., Ramesh, C., Arterburn, J.B., Dai, D., Sklar, L.A., Norenberg, J.P., Prossnitz, E.R. J Nucl Med, 2008, 49(6): 978-986.
  5. Estrogen Signaling through the Transmembrane G protein-coupled Receptor GPR30. Prossnitz, E., Arterburn, J., Smith, H., Oprea, T., Sklar, L. & Hathaway H. Ann Rev Physiol, 2008, 70, 165-190.
  6. GPR30: a novel therapeutic target in estrogen-related disease. Prossnitz, E., Arterburn, J., Oprea, T., & Sklar, L.TIPS, 2008, 29, 116-123.
  7. The ins and outs of GPR30: A transmembrane estrogen receptor. Prossnitz, E.R., Oprea, T.I., Sklar, L.A., & Arterburn, J.B. J. Steroid. Biochem Mol Biol, 2008, 109(3-5): 350-353.
  8. Advances in Multiple Analyte Profiling. Salas, V., Edwards, B., & Sklar, L. Adv Clin Chem, 2008, 45: 47-74.
  9. Flow Cytometry Multiplexed Screening Methodologies. Salas, V., Strouse, J.J., Edwards, B.S., & Sklar, L.A. In Chemical Genomics Assays and Screens. Fu, H., Ed. Cambridge University Press. In Press 2008.
  10. Flow Cytometry for Real-Time Measurement of Guanine Nucleotide Binding and Exchange by Ras-like GTPases Schwartz, S.L., Tessema, M., Buranda, T., Pylypenko, O., Rak, A., Simons, P.C., Surviladze, Z., Sklar, L.A., & Wandinger-Ness, A. Anal. Biochem., 2008, 381(2):258-266.
  11. Identification of Off-Patent Drugs That Reverse Daunorubicin Efflux Mediated by ABCB1 in T-ALL Cells. Winter, S,. Lovato, D., Khawaja, H., Edwards, B., Ivnitski-Steele. I., Young, S.,Estes, D., Oprea, T., Sklar, L., & Larson, R. SBS, 2008, 15: 185-193.
  12. High Throughput Screening for Daunorubicin-mediated Drug Resistance Identifies Mometasone Furoate as a Novel ABCB1 Reversal Agent. Winter, S.S., Lovato, D.M., Khawaja, H.M., Edwards, B.S., Ivnitski-Steele, I.D., Young, S.M., Oprea, T.I., Sklar, L.A. & Larson, R.S. J. Biomol Screen, 2008, 13: 185-193.
  13. Detection of membrane biointeractions based on fluorescence superquenching. Zeineldin, R., Piyasena, M., Sklar, L., Whitten, D., Lopez, G. Langmuir, 2008, 24:4125-4131.

Penn (MLSCN)

  1. Molecular docking of cathepsin L inhibitors in the binding site of papain. Beavers, M., Myers, M., Shaw, P., Diamond, S., & Smith, A. J Chem Information & Modeling, 2008, 48(7):1464-1472.
  2. A Saccharomyces cerevisiae cell-based quantitative beta-galactosidase assay compatible with robotic handling and high-throughput screening. deAlmeida, R.A., Burgess, D., Shema, R., Motlekar, N., Napper, A.D., Diamond, S.L. & Pavitt., G.D. Yeast, 2008, 25: 71-76.
  3. Evaluation of an orthogonal pooling strategy for rapid high throughput screening of proteases. Moltekar, N., Diamond, S.L., & Napper, A. Assay & Drug Dev Tech, 2008, 6(3): 395-405.
  4. Identification and synthesis of a unique thiocarbazate cathepsin L inhibitor. Myers, M.C., Shah, P.P., Diamond, S.L., Huryn, D.M., & Smith, A.B. Bioorganic and Medicinal Chemistry Letters, 2008, 18, 210-214.
  5. Design, synthesis, and evaluation of inhibitors of cathepsin L: Exploiting a unique thiocarbazate chemotype. Myers, M., Shah, P., Beavers, M., Napper, A., Diamond, S., Smith, A., & Huyrn, D. Bioorg. Med. Chem. Lett., 2008, 18(12):3646-3651.
  6. Kinetic characterization and molecular docking of a novel, potent and selective slow-binding inhibitor of human cathepsin L. Shah, P., Myers, M., Beavers, M., Pruvis, J., Huryn, D., Smith, A., & Diamond, S. Molec Pharmacol, 2008, In press.
  7. Enzyme microarrays assembled by acoustic dispensing technology. Wong, E., & Diamond, S. Anal. Biochem., 2008, 381(1):101-106.

Pittsburgh (MLSCN)

  1. Toward a molecular understanding of the interaction of dual specificity phosphatases with substrates: Insights from structure-based modeling and high throughput screening. Bakan, A, Lazo, J., Wipf, P., Brummond K., & Bahar, I. Current Med Chem, 2008, in press.
  2. Is Cdc25 a druggable target? Lazo, J., & Wipf P. Anti-cancer Agents Med Chem, 2008, In press.
  3. Potent and selective disruption of protein kinase d functionality by a benzoxoloazepinolone. Sharlow, E.R., Giridhar, K., Lavelle, C., Chen, J., Leimgruber, S., Barrett, R., Bravo-Altamirano, K., Wipf, P., Lazo, J., & Wang, Q. J Biol Chem, 283(48): 33516-33526.
  4. Development, validation and implementation of immobilized metal affinity for phosphochemical (IMAP)-based fluorescence polarization (FP) and timed resolved-fluorescence resonance energy transfer (TR-FRET) high throughput screening assays. Sharlow, E., Leimgruber, S., Yellow-Duke, A., Barrett, R., Wang, Q., & Lazo, J.S. Nature Protocols, 2008, In Press.
  5. A cell-active inhibitor of mitogen activated protein kinase phosphatases restores paclitaxel-induced apoptosis in dexamethasone-protected cancer cells. Vogt, A., McDonald, P.R., Tamewitz, A., Sikorski, R., Wipf, P., Skoko, J.J., & Lazo, J.S. Molecular Cancer Therapeutics, 2008, In press.
  6. Data mining a small molecule drug screening representative subset from NIH PubChem. Xie, X.-Q. & Chen, J.-Z. Journal of Chemical Information and Modeling, 48(3): 465-475.

Scripps

  1. Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method. Dai, S., Chalmers, M., Bruning, J., Bramlett, K., Osborne, H., Montrose-Rafizadeh, C., Barr, R., Wang, Y., Wang, M., Burris, T., Dodge, J., & Griffin, P. Proc Natl Acad Sci USA, 2008, 105: 7171-7176.
  2. A fluorescent plate reader assay for ceramide kinase. Don, A.S., & Rosen, H. Analytical Biochemistry, 2008, 375(2): 265-271.
  3. Full pharmacological efficacy of a novel S1P1 agonist that does not require S1P-like headgroup interactions. Gonzalez-Cabrera, P.J., Jo, E., Sanna, M.G., Brown, S., Leaf, N., Marsolais, D., Schaeffer, M.T., Chapman, J., Cameron, M., Guerrero, M., Roberts, E. & Rosen, H. Mol Pharmacol, 2008, 74(5): 1308-1318.
  4. Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assays. Guha, R., & Schurer, S. Comp Aided Mol Des, 2008, 22: 367-384.
  5. High throughput screening of potentially selective MMP-13 exosite inhibitors utilizing a triple-helical FRET substrate. Lauer-Fields, J.L., Minond, D., Chase, P., Baillargeon, P., Saldanha, S., Stawikowska, R., Hodder, P., & Fields, G. Bioorg & Med Chem Letters, 2008, 17(3):990-1005.
  6. Screening of potential a disintegrin and metalloproteinase with thrombospondin motifs-4 inhibitors using a collagen model fluorescence resonance energy transfer substrate. Lauer-Fields, J.L., Spicer, T.P., Chase, P.S., Cudic, M., Burstein, G.D., Nagase, H., Hodder, P. & Fields, GB. Analytical Biochemistry, 2008, 373: 43-51.
  7. Potent, selective and cell penetrant inhibitors of SF-1 by functional uHTS. Madoux, F., Li, X., Chase, P., Zastrow, G., Cameron, M.D., Conkright, J.J., Griffin, P.R., Thacher, S. & Hodder, P. Molecular Pharmacology, 2008, 73(6): 1776-1784.
  8. Local not systemic modulation of dendritic cell S1P receptors in lung blunts virus-specific immune response to influenza. Marsolais, D., Hahm,B., Edelmann, K.H., Walsh, K.B., Guerrero, M., Hatta, Y., Kawaoka, Y., Roberts, E., Oldstone, M.B. & Rosen, H. Mol Pharmacol, 2008, 74(3): 896-903.
  9. Ranking the selectivity of PubChem screening hits by activity-based protein profiling: MMP13 as a case study. Nakai, R., Salisbury, C.M., Rosen, H., & Cravatt, B.F. Bioorganic & Medicinal Chemistry, 2008, 17(3):1101-1108.
  10. Dendritic cell PAR1-S1P3 signalling couples coagulation and inflammation. Niessen, F., Schaffner, F., Furlan-Freguia, C., Pawlinski, R., Bhattacharjee, G., Chun, J., Derian, C. K., Andrade-Gordon, P., Rosen, H., Ruf, W. Nature, 2008, 452: 654-658.
  11. Modulating tone: the overture of S1P receptor immunotherapeutics. Rosen, H., Gonzalez-Cabrera, P., Marsolais, D., Cahalan, S., Don, A. S., Sanna, M. G. Immunol Rev, 2008, 223: 221-235.
  12. Synthesis of Small Molecule Inhibitors of the Orphan Nuclear Receptor Steroidogenic Factor-1 (NR5A1) Based on Isoquinolinone Scaffolds. Roth, J., Madoux, F., Hodder, P. & Roush, W. Bioorg Med Chem Lett, 2008, 18(8): 2628-2632.
  13. Comparison of Miniaturized Time-Resolved Fluorescence Resonance Energy Transfer and Enzyme-Coupled Luciferase High-Throughput Screening Assays to Discover Inhibitors of Rho-Kinase II (ROCK-II). Schröter, T., Minond, D., Weiser, A., Dao, C., Habel, J., Spicer, T., Chase, P., Baillargeon, P., Scampavia, L., Schürer, S., Chung, C., Mader, C., Southern, M., Tsinoremas, N., LoGrasso, P., & Hodder, P. J Biomolecular Screening, 2008, 13(1):17-28.
  14. Ligand-binding pocket shape differences between S1P1 and S1P3 determine efficiency of chemical probe identification by uHTS. Schürer, S., Brown, S., Gonzales Cabrera, P., Schaeffer, M-T., Chapman, J., Jo, E., Chase, P., Spicer, T., Hodder, P. & Rosen, H. ACS Chem Biol, 2008, 3(8): 486-498.

Southern Research Institute

  1. Adapting Cell Based Assays to the High Throughput Screening Platform: Problems Encountered and Lessons Learned. Maddox, C.B., Rasmussen, L., & White, E.L.,J. Assoc. Lab. Automation, 2008, 13:168-173.

Hopkins

None

Vanderbilt

  1. A novel assay of Gi/o-linked G protein coupled receptor coupling to potassium channels provides new insights into the pharmacology of the group III metabotropic glutamate receptors. Niswender, C.M., Johnson, K.A., Luo, Q., Ayala, J., Kim, C., Conn, P.J., & Weaver, D. Molec Pharmacology, 2008, In press.
  2. An allosteric potentiator of M4 mAChR modulates hippocampal synaptic transmission. Shirey, J.K., Xiang, Z., Orten, D., Brady, A.E., Johnson, K.A., Williams, R., Ayala, J.E., Rodriquez, A.L., Wess, J., Weaver, D., Niswender, C., & Conn, J.P. Nature Chemical Biology, 2008, 4: 42-50.
  3. Synthesis and SAR of selective muscarinic acetylcholine receptor subtype 1 (M1 mAChR) antagonists. Lewis, M., Sheffler, D., Williams, R., Bridges, T., Kennedy, J.P., Brogan, J.T., Mulder, M.J., Williams, L., Nalywajko, N.T., Niswender, C., Weaver, D., Conn, P.J., Lindsley, C.W. Bioorg & Med Chem Lett, 2008, 885-890.

Kansas

None

Other Institutions

  1. Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening. Hsieh, J-H., Wang, X.S., Teotico, D., Golbraikh, A. & Tropsha, A. J Comput Aided Mol Des, 2008, DOI 10.1007/s10822-008-9199-2
  2. Use of cell viability data improves the prediction accuracy of conventional quantitative structure-activity relationship models of animal carcinogenicity. Zhu, H., Rusyn, I., Richard, A. & Tropsha, A. Environmental Health Perspectives, 2008, 116, 4: 506-513.

2007

Burnham

  1. Dynamic autofocus for continuous-scanning time-delay-and-integration image acquisition in automated microscopy. Bravo-Zanoguera, M,E., Laris, C.A., Nguyen, L.K., Oliva, M. & Price, J.H. J. Biomed Opt., 2007, 12(3), 034011.
  2. Reconstituted NALP1 inflammasome reveals two-step mechanism of caspase-1 activation. Faustin, B., Lartigue, L., Bruey, J.M., Luciano, F., Sergienko, E., Bailly-Maitre, B., Volkmann, N., Hanein, D., Rouiller, I. & Reed, J.C. Mol Cell., 2007, 25(5):713-24.
  3. Chapter 26 the molecular libraries screening center network (MLSCN): Identifying chemical probes of biological systems. Huryn, D. M., & Cosford, N. D. P. Annual Reports in Medicinal Chemistry,2007, 42: 401-416.
  4. HTS identifies novel and specific uncompetitive inhibitors of the two-component NS2B-NS3 proteinase of West Nile virus. Johnston, P.A., Phillips, J., Shun, T.Y., Shinde, S., Lazo, J.S., Huryn, D. M., Myers, M. C., Ratnikov, B.I., Smith, J.W., Su, Y., Dahl, R., Cosford, N., Shiryaev, S.A., & Strongin, A.Y. Assay and Drug Development Technologies, 2007, 5:737-750.
  5. Nuclear magnetic resonance fragment-based identification of novel FKBP12 inhibitors. Stebbins, J. L., Zhang, Z., Chen, J., Wu, B., Emdadi, A., Williams, M. E., Cashman, J., & Pellecchia, M. J. Med Chem., 2007, 50(26), 6607-6617.
  6. A traceless approach for the solid-phase parallel synthesis trisubstituted oxindoles.Xie, J., Sun, J., Zhang, G., Houghten, R.A., & Yu, Y. J Comb Chem, 2007, 9(4):566-568.

Columbia

None

Emory

  1. High-throughput screening fluorescence polarization assay for tumor-specific Hsp90. Du, Y., Moulick, K., Rodina, A., Aguirre, J., Felts, S., Dingledine, R., Fu, H. & Chiosis, G. Journal of Biomolecular Screening, 2007, 12, 915-924.
  2. Improved biochemical strategies for targeted delivery of taxoids. Ganesh, T. Bioorg Med Chem, 2007, 15, 3597-3623.
  3. Non-nucleoside inhibitors of the measles virus RNA-dependent RNA polymerase complex activity: Synthesis and in vitro evaluation. Sun, A., Chandrakumar, N., Yoon, J-J., Plemper, R.K., & Snyder, J.P. Bioorganic and Medicinal Chemistry Letters, 2007, 17, 5199-5203.
  4. Relationship among ligand conformations in solution, in the solid state, and at the Hsp90 binding site: geldanamycin and radicicol. Thepchatri, P., Eliseo, T., Cicero, D.O., Myles, D., & Snyder, J.P. J Am Chem Soc, 2007, 129, 3127-3134.
  5. Automated, quantitative screening assay for antiangiogenic compounds using transgenic Zebrafish. Tran, T.C., Sneed, B., Haider, J., Blavo, D., White, A., Aiyejorun, T., Baranowski, T.C., Rubinstein, A.L., Doan, T.N., Dingledine, R., & Sandberg, E.M. Cancer Research, 2007, 67, 11386-11392.

NCGC

  1. HTS technologies to facilitate chemical genomics. Auld, D.S., Inglese, J., Jadhav, A., Austin, C.P., Sittampalam, G.S., Montrose-Rafizadeh, C., Mcgee, J.E., & Iversen, P.W. European Pharma. Review, 2007, 2: 53-63.
  2. A Cell-Based Assay for IKBa Stabilization Using Two-Color Dual Luciferase-Based Sensor. Davis, R.E., Zhang, Y., Southall, N., Staudt, L.M., Austin, C.P., Inglese, J., & Auld, D.S. Assay and Drug Development Technologies, 2007, 5: 85-103.
  3. A High-throughput Screen for Aggregation-based inhibition in a Large Compound Library. Feng, B.Y, Simeonov, A., Jadhav, A., Babaoglu, K., Inglese, J., Shoichet, B.K., & Austin, C.P. J. Med. Chem, 2007, 50: 2385-2390.
  4. Differentiating Alzheimer disease-associated aggregates with small molecules. Honson, N. S., Johnson, R. L., Huang, W., Inglese, J., Austin, C.P., & Kuret, J. Neurobiology of Disease, 2007, 28(3), 251-260.
  5. N4-Phenyl modifications of N2-(2-hydroxyl)ethyl-6(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamines enhance glucocerebrosidase inhibition by small molecules with potential as chemical chaperones for Gaucher disease. Huang, W., Zheng, W., Urban, D.J., Inglese, J., Sidransky, E., Austin, C.P., & Thomas, C.J. Bioorganic and Medicinal Chemistry Letters, 2007, 17, 5783-5789.
  6. High-throughput screening assays for the identification of chemical probes. Inglese, J., Johnson, R.L., Simeonov, A., Xia, M., Austin, C.P., & Auld, D.S. Nature Chemical Biology, 2007, 3: 466-479.
  7. Reporting data from high-throughput screening of small-molecule libraries. Inglese, J., Shamu, C.E., & Guy, R.K. Nature Chemical Biology, 2007, 3: 438-441.
  8. Distinctive Inhibition of O-GlcNAcase Isoforms by an alpha-GlcNAc Thiolsulfonate. Kim, E., Amorelli, B., Abdo, M., Thomas, C., Love, D., Knapp, S., Hanover, J. J Am Chem Soc., 2007, 129(48): 14854-14855.
  9. Evaluation of micro-parallel liquid chromatography as a method for HTS-coupled actives verification. Simeonov, A., Yasgar, A., Klumpp, C., Zheng, W., Shafqat, N., Oppermann, U., Austin, C.P., & Inglese, J. Assay and Drug Development Technologies, 2007, 5, 815-824.
  10. Synthesis of substituted 2-phenylhistamines via a microwave promoted Suzuki coupling. Skoumbourdis, A.P., Moore, S., Landsman, M., & Thomas, C.J. Tetrahedron Letters, 2007, 48, 9140-9143.
  11. Bidirectional, Iterative Approach to the Structural Delineation of the Functional Chemoprint in GPR40 for Agonist Recognition. Tikhonova, I., Sum, C., Neumann, S., Thomas, C., Raaka, B. Costanzi, S., Gershengorn, M. J Med Chem., 2007, 50(13):2981-2989.
  12. Three classes of glucocerebrosidase inhibitors identified by quantitative high-throughput screening are chaperone leads for Gaucher disease. Zheng, W., Padla, K., Urban, D.J., Jadhav, A., Goker-Alpan, O., Simeonov, A., Goldin, E., Auld, D., LeMarca, M.E., Inglese, J., Austin, C.P., & Sidransky, E. Proceedings of the National Academy of Sciences of the United States of America, 2007, 104: 13192-13197.

New Mexico

  1. G Protein-Coupled Receptor 30 (GPR30) Mediates Gene Expression Changes and Growth Response to 17b -Estradiol and Selective GPR30 Ligand G-1 in Ovarian Cancer Cells.Albanito, L., Madeo, A., Lappano, R., Vivacqua, A., Rago, V., Carpino, A., Oprea, T., Prossnitz, E., Musti, A., Ando, S., & Maggiolini, M. Cancer Res, 2007, 67:1859-1866.
  2. Exemestane’s 17-hydroxylated metabolite exerts biological effects as an androgen. Ariazi, E.A., Leitao, A., Oprea, T.I., Chen, B., Louis, T., Betucci, A.M., Sharma, C.G.N., Gill, S.D., Kim, H.R., Shupp, H.A., Pyle, J.R., Madrack, A., Donato A.L., Cheng, D., Paige, J.R., & Jordan, V.C. Molecular Cancer Therapeutics, 2007, 11:2817-2827.
  3. Some mechanistic insights into GPCR activation from detergent-solubilized ternary complexes on beads. Buranda, T., Waller, A., Wu, Y., Simons, P.C., Biggs, S., Prossnitz, E.R., & Sklar, L.A. Advanced Protein Chemistry, 2007, 74:95-135.
  4. High Throughput Cytotoxicity Screening by Propidium Iodide Staining. Edwards, B., Ivnitski-Steele, I., Young, S., Salas, V.,.Sklar, L. Current Protocols in Cytometry, 2007, Chapter 9.
  5. High Throughput Flow Cytometry for Drug Discovery. Edwards, B., Young, S., Saunders, M., Bologa. C,, Oprea. T,, Ye, R., Prossnitz, E., Graves, S., & Sklar, L. Expert Opin Drug Discov., 2007, 2:685-696.
  6. High content screening: flow cytometry analysis. Edwards, B., Young, S., Ivnitski-Steele, I., Ye, R., Prossnitz, E., & Sklar, L. In: P. A. Clemons, N. J. Tolliday, and B. K. Wagner (eds.), Cell Based Assays in High-Throughput Screening. Totowa, NJ: Humana Press, Inc., in press, 2007.
  7. Ligand-based virtual screening by novelty detection with self-organizing maps. Hristozov, D. P., Oprea, T.I., & Gasteiger, J.J. Chem. Inf. Model., 2007, 47:2044-2062.
  8. Open, reconfigurable cytometic acquisition system: ORCAS.Naivar, M.A., Parson, J.D., Wilder, M.E., Habbersett, R.C., Edwards, B.S.,Sklar, L., Nolan, J.P., Graves, S.W., Martin, J.C., Jett, J.H., & Freyer, J.P. Cytometry Part A, 2007, 71:915-924.
  9. Lead-like, drug-like or "Pub-like": how different are they? Oprea, T. I., Allu, T.K, Fara, D.C., Rad, R.F., Ostopovici, L., & Bologa, C.G. J Comput Aided Mol Des, 2007, 21.
  10. Systems chemical biology. Oprea, T. I., Tropsha, A., Faulon, J.L., Rintou, M.D. Nat Chem Biol, 2007, 3:447-450.
  11. GPR30: A G protein-coupled receptor for estrogen. Prossnitz, E. R., Arterburn, J.B., & Sklar, L.A. Mol Cell Endocrinol, 2007, 265-266.
  12. Synthetic estrogen derivatives demonstrate the functionality of intracellular GPR30.Revankar, C.M., Mitchell, H.D., Field, A.S., Burai, R., Corona, C., Ramesh, C., Sklar, L.A., Arterburn, J.B., & Prossnitz, E.R. ACS Chemical Biology, 2007, 2: 536-544.
  13. Duplexed, bead-based competitive assay for inhibitors of protein kinases. Simons, P.C., Young, S.M., Gibaja, V., Lee, W-C., Josiah, S., Edwards, B.S., & Sklar, L.A. Cytometry Part A, 2007, 71, 451-459.
  14. Flow cytometry for drug discovery, receptor pharmacology and high-throughput screening. Sklar. L.A., Carter, M.B., Edwards, B.S. Current Opinion in Pharmacology, 2007, 7, 527-534.
  15. Rapid-mix flow cytometry measurements of subsecond regulation of G protein-coupled receptor ternary complex dynamics by guanine nucleotides. Wu, Y., Buranda, T., Simons, P.C., Lopez, G.P., McIntire, W.E., Garrison, J.C., Prossnitz, E.R., & Sklar, L.A. Analytical Biochemistry, 2007, 371:10-20.
  16. The development of quantum dot calibration beads and quantitative multicolor bioassays in flow cytometry and microscopy. Wu, Y., Campos, S.K., Lopez, G.P., Ozbun, M.A., Sklar, L.A., & Buranda, T. Anal Biochem, 2007, 364:180-192.
  17. Spectroscopic characterization of streptavidin functionalized quantum dots. Wu, Y., Lopez, G.P., Sklar, L.A., & Buranda, T. Anal Biochem, 2007, 364:194-203.

Penn

  1. Methods for mapping protease specificity. Diamond, S.L. Current Opinion in Chemical Biology, 2007, 11:46-51.
  2. Identification and characterization of 3-substituted pyrazolyl esters as alternate substrates for cathepsin B: The confounding effects of DTT and cysteine in biological assays. Myers, M. C., Napper, A.D., Motlekar, N., Shah, P.P., Chiu, C.H., Beavers, M.P., Diamond, S.L., Huryn, D.M., & Smith, III., A.B. Bioorg Med Chem Lett, 2007, 17:4761-4766.

Pittsburgh

  1. Synthesis and Biological Activity of a Focused Library of Mitogen-activated Protein Kinase Phosphatase Inhibitors. Arnold, D. M., Foster, C., Huryn, D. M., Lazo, J. S., Johnston, P.A., &n Wipf, P. Chemical Biology & Drug Design, 2007, 69:23-30.
  2. Development and implementation of a 384-well homogeneous fluorescence intensity high-throughput screening assay to identify mitogen-activated protein kinase phosphatase-1 dual-specificity protein phosphatase inhibitors. Johnston, P.A., Foster, C.A., Shun, T.Y., Skoko, J.J., Shinde, S., Wipf, P., & Lazo, J.S. Assay and Drug Development Technologies, 2007, 5:319-332.
  3. HTS identifies novel and specific uncompetitive inhibitors of the two-component NS2B-NS3 proteinase of West Nile virus. Johnston, P.A., Phillips, J., Shun, T.Y., Shinde, S., Lazo, J.S., Huryn, D. M., Myers, M. C., Ratnikov, B.I., Smith, J.W., Su, Y., Dahl, R., Cosford, N., Shiryaev, S.A., & Strongin, A.Y. Assay and Drug Development Technologies, 2007, 5:737-750.
  4. Building a pharmacological lexicon: small molecule discovery in academia. Lazo, J. S., Brady, L., & Dingledine, R. Molecular Pharmacoogy, 2007, 72:1-17.
  5. Structurally unique inhibitors of human mitogen-activated protein kinase phosphatase-1 identified in a pyrrole carboamide library. Lazo, J.S., Skoko, J.J., Werner, S., Mitasev, B., Bakan, A., Koizumi, F., Yellow-Duke, A., Bahar, I., & Brummond, K.M. Journal of Pharmacology and Experimental Therapeutics, 2007, 322:940-947.
  6. Development and implementation of a miniaturized high-throughput time-resolved fluorescence energy transfer assay to identify small molecule inhibitors of polo-like kinase 1. Sharlow, E.R., Leimgruber, S., Shung, T.Y., & Lazo, J.S. Assay and Drug Development Technologies, 2007, 5:723-735.
  7. Implementation of high-content assay for inhibitors of mitogen-activated protein kinase phosphatases. Vogt, A., & Lazo, J.S. Methods, 2007, 42: 268-277.

Scripps

  1. Essential requirement for sphingosine kinase 2 in a sphingolipid apoptosis pathway activated by FTY720 analogues. Don, A.S., Martinez-Lamenca, C., Webb, W.R., Proia, R.L., Roberts, E., & Rosen, H. Biological Chemistry, 2007, 282:15833-15842.
  2. Structure-activity relationships, and drug metabolism and pharmacokinetic properties for indazole piperazine and indazole piperidine inhibitors of ROCK-II. Feng, Y., Cameron, M.D., Frackowiak, B., Griffin, E., Lin, L., Ruiz, C., Schröter, T. & LoGrasso, P. Bioorg Med Chem Lett., 2007, 17(8):2355-2360.
  3. Mapping Pathways Downstream of Sphingosine 1-Phosphate Subtype 1 by Differential Chemical Perturbation and Proteomics. Gonzalez-Cabrera, P.J., Hla, T., & Rosen., H. Journal of Biological Chemistry, 2007, 282:7254-7264.
  4. Application of B-lactamase enzyme complementation to the high-throughput screening of toll-like receptor signaling inhibitors. Lee, H-K., Brown, S.J.,  Rosen, H., & Tobias, P.S. Molecular Pharmacology, 2007, 72:868-875.
  5. Tipping the gatekeeper: S1P regulation of endothelial barrier function. Rosen, H., Sanna, M.G., Calahan, S.M., & Gonzalez-Cabrera, P.J. Trends in Immunology, 2007, 28:102-107.

Southern Research Institute

  1. A Successful LIMS Implementation: Case Study at Southern Research Institute. Rasmussen, L., Maddox, C.B., Harten, B., & White, E. L. J. Assoc. Lab. Automation, 2007, 12: 384-390.

Vanderbilt

None

2006

Burnham

  1. Pyrrolidine bis-cyclic guanidines with antimicrobial activity against drug-resistant Gram-positive pathogens identified from a mixture-based combinatorial library. Hensler, M.E., Bernstein, G., Nizet, V., & Nefzi, A. Bioorg Med Chem Lett., 2006, 16: 5073-50739.
  2. Identification of potent and highly selective chiral tri-amine and tetra-amine mu opioid receptors ligands: an example of lead optimization using mixture-based libraries. Nefzi, A., Ostresh, J.M., Appel, J.R., Bidlack, J., Dooley, C.T., & Houghten, R.A. Bioorg Med Chem Lett, 2006, 16:4332-4338.

Columbia

  1. Cell-Based Assays Using Primary Endothelial Cells to Study Multiple Steps in Inflammation. Mayer, T., Jagla, B., Wyler, M.R., Kelly, P.D., Aulner, N., Beard, M., Barger, G., Tobben, U., Smith, D.H., Branden, L., & Rothman, J.E. Methods in Enzymology, 2006, 414:266-283.

 

Emory

None

NCGC

  1. Fluorescent Protein-Based Cellular Assays Analyzed by Laser-Scanning Microplate Cytometry in 1536-Well Plate Format. Auld, D.S, Johnson, R.L., Zhang, Y., Veith, H., Jadhav, A., Yasgar, A., Simeonov, A., Zheng, W., Martinez, E.D.,Westwick, J.K., Austin, C.P., & Inglese, J. Methods in Enzymology, 2006, 414: 566-589.
  2. Quantitative high-throughput screening- A titration-based approach that efficiently identifies biological activities in large chemical libraries. Inglese, J, Auld, D.S., Jadhav, A., Johnson, R.L., Simeonov, A., Yasgar, A., Zheng, W., & Austin, C.P. Proceedings of the National Academy of Sciences of the United States of America, 2006, 103: 11473-11478.
  3. Measure, mine, model, and manipulate: the future for HTS and chemoinformatics? Parker, C.N, Shamu, C.E., Kraybill,B., Austin, C.P., & Bajorath, J. Drug Discovery Today, 2006, 11: 863.

New Mexico

  1. Virtual and biomolecular screening converge on a selective agonist for GPR30. Bologa, C.G., Revankar, C.M., Young, S.M., Edwards, B.S., Arterburn, J.B., Kiselyov, A.S., Parker, M.A., Tkachenko, S.E., Savchuck, N.P., Sklar, L.A., Oprea, T.I., & Prossnitz, E.R. Nat Chem Biol,2006, 2:207-212.
  2. Biomolecular screening of formylpeptide receptor ligands with a sensitive, quantitative, high-throughput flow cytometry platform. Edwards, B. S., Young, S. M., Oprea, T.I., Bologa, C. G., Prossnitz, E. R., & Sklar, L.A. Nat Protoc, 2006, 1:59-66.
  3. Integration of virtual and physical screening. Fara, D. C., Oprea, T.I., Prossnitz, E.R., Bologa, C.G., Edwards, B.S., & Sklar, L.A. Drug Discovery Today, 2006, 3:377-385.
  4. Target, chemical and bioactivity databases- integration is key. Oprea, T. I., & Tropsha A. Drug Discovery Today, 2006, 3:357-365.
  5. Steroid-Binding GPCRs: New Drug Discovery Targets for Old Ligands? Prossnitz, E., Arterburn, J., Edwards, B., Sklar, L., & Oprea, T. Expert Opinion in Drug Discovery, 2006, 1:137-150.
  6. Linkage Effects on Binding Affinity and Activation of GPR30 and Estrogen Receptors ER α/β with Tridentate Pyridin-2-yl Hydrazine Tricarbonyl-Re/99mTc(I) Chelates. Ramesh, C., Bryant, B., Nayak, T., Revenkar, C.M., Anderson, T., Carlson, K.E., Katzenellenbogen, J.A., Sklar, L.A., Norenberg, J.P., Prossnitz, E.R., & Arterburn, J.B. Journal of the American Chemical Society, 2006, 128:14476-14477.
  7. NM Molecular Libraries Screening Center: Enhancing Drug Discovery with Cheminformatics. Sklar, L.A. Society for Biomolecular Screening News, 2006, 22:1.
  8. Glutathione-S-transferase-green fluorescent protein fusion protein reveals slow dissociation from high site density beads and measures free GSH. Tessema, M., Simons, P.C., Cimino, D.F., Sanchez, L., Waller, A., Posner, R.G., Wandinger-Ness, A., Prossnitz, E.R., & Sklar, L.A. Cytometry A, 2006, 69:326-334.

Penn

None

Pittsburgh

  1. Roadmap or Roadkill: A Pharmacologist’s Analysis of the NIH Molecular Libraries Initiative.Lazo, J.S. (2006). Molecular Interventions, 6: 240.

Scripps

  1. CD69 down-modulation and inhibition of thymic egress by short and long-term selective chemical agonism of S1P1 receptors. Alfonso, C., McHeyzer-William, M.G., & Rosen, H. Eur J Immunol., 2006, 36:149-59.
  2. Lysophospholipid receptors as potential drug targets in tissue transplantation and autoimmune diseases. Chun, J., & Rosen, H. Curr. Pharm. Des., 2006, 12:161-71.
  3. Enhancement of capillary leakage and restoration of lymphocyte egress by a chiral S1P1 antagonist in vivo. Sanna, M. G., Wang, S., Gonzalez-Cabrera, P.J., Don, A., Marolais, D., Mattheu, M. P., Wei, S.H., Parker, I., Jo, E., Cheng, W., Calahan, M.D., Wong, C., & Rosen, H. Nature Chemical Biology, 2006, 2:434-441.

Southern Research Institute

None

Vanderbilt

None

2004-2005

1. NIH Molecular Libraries Initiative. Austin, C.P, Brady, L.S., Insel, T.R., & Collins, F.S. (2004). Science, 306:1138-1139.