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Direct Publications


The direct publications from the MLPCN or MLSCN centers in each of the following years 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

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. 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.
  3. 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.

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.

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. 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.
  5. HTS β-Lactamase transcriptional reporter gene assay for interrogating heat shock response signaling pathway. Hancock, M., Xia, M., Frey, E., Sakamuru, S., & Bi, K. Current Chemical Genomics, 2009, 3: 1-6.
  6. High Throughput Screening (HTS) Techniques- Applications in Chemical Biology. Inglese, J., Auld, D. Wiley Encyclopedia of Chemical Biology., 2009.
  7. 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.
  8. 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.
  9. 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.
  10. 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.
  11. 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.
  12. 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.
  13. 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.
  14. 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.
  15. 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.
  16. 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.
  17. 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.
  18. 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.
  19. 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: 7-12.
  20. 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.
  21. 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.

New Mexico

  1. In vivo effects of a GPR30 antagonist. Dennis, M., Burai, R., Ramesh, C., Petrie, W., Alcon, S., Nayak, T., Bologa, C., Leitao, A., Brailoiu, E., Deliu, E., Dun, N., Sklar, S., Hathaway, H., Arterburn, J., Oprea, T., & Prossnitz, E. Nature Chemical Biology, 2009, 5: 421-427.
  2. A Novel Fluorescent Cross-Reactive Formylpeptide Receptor/Formylpeptide Receptor-Like 1 Hexapeptide Ligand. Strouse, J.J., Young, S.M., Mitchell, H.D., Ye, R.D., Prossnitz, E.R., Sklar, L.A., & Edwards, B.S. Cytometry A, 2009, 75(3): 264-270.
  3. Duplex high throughput flow cytometry screen identifies two Novel Formylpeptide Receptor Family Ligands.Young, S.M., Bologa, C.M., Fara, D., Bryant, B.K., Strouse, J.J., Arterburn, J.B., Ye, R.D., Oprea, T.I., Prossnitz, E.R., Sklar, L.A., & Edwards, B.S. Cytometry A, 2009, 75(3): 253-263.

Penn

  1. Toward the development of a potent and selective organoruthenium mammalian sterile 20 kinase inhibitor. Anand, R., Maksimoska, J., Pagano, N., Wong, E., Gimotty, P., Diamond, S., Meggers, E., & Marmorstein, R. J. Med. Chem., 2009, 52(6):1602-1611.
  2. Advancing microarray assembly with acoustic dispensing technology. Wong, E., & Diamond, S. Anal. CHem., 2009, 81(1):509-514.

Scripps

  1. MAOS protcols for the general synthesis and lead optimization of 3,6-disubstituted-[1,2,4]triazolo[4,3-b]pyridazines. Aldrich, L., Lebois, E., Lewis, M., Nalywajko, N., Niswender, C., Weaver, C.D., Conn, P.J., & Lindsley, C. Tetrahedron Letters, 2009, 50:212-215.
  2. Identification of selective inhibitors of uncharacterized enzymes by high-throughput screening with fluorescent activity-based probes. Bachovchin, D., Brown, S., Rosen, H., Cravatt, B. Nat Biotechnol, 2009, 27(4):387-94.
  3. S1P1 signaling just keeps going and going and going… Calahan, S., & Rosen, H. Nat. Chem. Biol. 2009, 5(6): 377-378.
  4. A lipid binding domain in sphingosine kinase 2. Don, A., Rosen, H. Biochem Biophys Res Commun., 2009, 380(1): 87-92.
  5. The function of follicular helper T cells is regulated by the strength of T cell antigen receptor binding. Fazilleau, N., McHeyzer-Williams, L., Rosen, H., McHeyzer-Williams, M. Nat Immunol 2009, 10(4):375-84.
  6. Chemical modulators of sphingosine-1-phosphate receptors as barrier-oriented therapeutic molecules. Marsolais, D., Rosen, H. Nat Rev Drug Discov., 2009, 8(4):297-307.
  7. A critical role for the sphingosine analog AAL-R in dampening the cytokine response during influenza virus infection. Marsolais, D., Hahm, B., Walsh, K., Edelmann, K., McGavern, D., Hatta, Y., Kawaoka, Y., Rosen, H., Oldstone, M. Proc Natl Acad Sci USA, 2009, 106(5): 1560-5.
  8. Endogenous EPCR/aPC-PAR1 signaling prevents inflammation-induced vascular leakage and lethality. Niessen, F., Furlan-Freguia, C., Fernandez, J.A., Mosnier, L.O., Castellino, F.J., Weiler, H., Rosen, H., Griffin, J.H., & Ruf, W. Blood, 2009, 113(12):2859-2866.
  9. HD Desktop: An Integrated Platform for the Analysis and Visualization of H/D Exchange Data. Pascal, B.D., Chalmers, M.J., Busby, S.A., Griffin, P.R. J of the Am Soc for Mass Spec, 2009, 20(4):601-610.
  10. Potent inhibitors of Huntingtin protein aggregation in a cell-based assay. Rinderspacher, A., Cremona, M.L., Lui, Y., Deng, S.-X., Xie, Y., Gong, G., Aulner, N., Tobben, U., Myers, K., Chung, C., Anderson, M., Vidovic, D., Schurer, S., Branden, L., Yamamoto, A., Landry, D. Bioorg Med Chem Lett., 2009, 19(6):1715-1717.
  11. Sphingosine 1-phosphate receptor signaling. Rosen, H., Gonzalez-Cabrera, P.J., Sanna, M.G., & Brown, S. Annual Rev Biochem, 2009, 78: 743-768.
  12. S1P1-selective agonist SEW2871 exacerbates reperfusion arrhythmias. Tsukada, Y., Sanna, M., Rosen, H., Gottlieb, R. J Cardiovasc Pharmacol, 2007, 50(6):660-9.

SRI

  1. Southern Research Institute: A Molecular Libraries Screening Center Program. Screening Trends in Drug Discovery, 2009, 10.

Vanderbilt

  1. A Novel Selective Muscarinic Acetylcholine Receptor Subtype 1 Antagonist Reduces Seizures without Impairing Hippocampus-Dependent Learning. Sheffler, D., Williams, R., Bridges, T., Xiang, Z., Kane, A., Byun, N., Jadhav, S., Mock, M., Zheng, F., Lewis, M., Jones, C., Niswender, C., Weaver, C., Lindsley, C., & Conn, J. Molec. Pharm., 2009, 76(2): 356-368.
  2. Discovery of the First Highly M5-Preferring Muscarinic Acetylcholine Receptor Ligand, an M5 Positive Allosteric Modulator Derived from a Series of 5-Trifluoromethoxy N-Benzyl Isatins. Bridges, T., Marlo, J., Niswender, C., Jones. C., Jadhav, S., Gentry, P., Plumley, H., Weaver, D., Conn, P. J., & Lindsley, C. J. Med. Chem, 2009, 52(11):3445-8.

Other

  1. Perfecting Probes. Editorial. Nature Chemical Biology, 2009, 5(7): 435.
  2. A crowdsourcing evaluation of the NIH chemical probes Oprea, T., Bologa, C., Boyer, S., Curpan, R., Glen, R., Hopkins, A., Lipinski, C., Marshall, G., Martin, Y., Ostopovici-Halip, L., Rishton, G., Ursu, O., Vaz, R., Waller, C., Waldmann, H., & Sklar, L. Nature Chemical Biology, 2009, 5(7): 441-447.
  3. Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository. Singh, N., Guha, R., Giulianotti, M., Pinilla, C., Houghten, R., & Medina-Franco, J. J. Chem. Inf. Model., 2009, 49(4): 1010-1024.

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.

SRI

  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.

SRI

  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.

SRI

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.