Skip Navigation
  

Related Links

Direct Publications

The direct publications from the MLPCN or MLSCN centers in each of the following years 2010, 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

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.L. Mol 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).

New Mexico

  1. Chapter 11. Subsecond analyses of G-protein coupled-receptor ternary complex dynamics by rapid mix flow cytometry. Buranda, T., Wu, Y., Sklar, L.A. Methods in Enzymology 2009, 461:227-47.
  2. Real-time analysis of conformation-sensitive antibody binding provides new insights into integrin conformational regulation. Chigaev, A., Waller, A., Amit, O., Halip, L., Bologa, C.G., Sklar, L.A. J Biol Chem., 2009, 284:14337-46.
  3. 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.
  4. Expression of estrogen receptor GPR30 in the rat spinal cord and in autonomic and sensory ganglia. Dun, S.L., Brailoiu, G.C., Brailoiu, E., Arterburn, J.B., Prossnitz, E.R., Oprea, T.I., Dun, N.J. Journal of Neuroscience Research., 2009, 187:1610-9.
  5. High-content screening: flow cytometry analysis. Edwards, B.S., Young, S.M., Ivnitsky-Steele, I., Ye, R.D., Prossnitz, E.R., Sklar, L.A. Methods in Molecular Biology, 2009. 486:151.­
  6. Effect of DOTA position on melanoma targeting and pharmacokinetic properties of 111In-labeled lactam bridge-cyclized alpha-melanocyte stimulating hormone peptide. Guo, H., Yang, J., Gallazzi, F., Prossnitz, E.R., Sklar, L.A., Miao, Y. Bioconjugate Chemistry, 2009, 20:2162-8.
  7. Detection of intracellular granularity induction in prostate cancer cell lines by small molecules using the HyperCyt high-throughput flow cytometry system. Haynes, M.K., Strouse, J.J., Waller, A., Leitao, A., Curpan, R.F., Bologa, C., Oprea, T.I., Prossnitz, E.R., Edwards, B.S., Sklar, L.A., Thompson, T.A. Journal of Biomolecular Screening, 2009, 14:596­609.
  8. Identification of Nile red as a fluorescent substrate of the Candida albicans ATP-binding cassette transporters Cdr1p and Cdr2p and the major facilitator superfamily transporter Mdr1p. Ivnitski-Steele, I., Holmes, A.R., Lamping, E., Monk, B.C., Cannon, R.D., Sklar, L.A. Anal Biochem., 2009, 394:87-91.
  9. A crowdsourcing evaluation of the NIH chemical probes. Oprea, T.I., Bologa, C.G., Boyer, S., Curpan, R.F., Glen, R.C., Hopkins, A.L., Lipinski, C.A., Marshall, G.R., Martin, Y.C., Ostopovici-Halip, L., Rishton, G., Ursu, O., Vaz, R.J., Waller, C., Waldmann, H., Sklar, L.A. Nature Chemical Biology, 2009, 5:441-7.
  10. Bioactivity-guided mapping and navigation of chemical space. Renner, S., Van Otterlo, W.A.L., Dominguez Seoane, M., Macklinghoff, S., Hofmann, B., Wetzel, S., Schuffenhauer, A., Ertl, P., Oprea, T.I., Steinhilber, D., Brunsveld, L., Rauh, D., Waldmann, H. Nature Chemical Biology, 2009, 5:585-92.
  11. Novel chemical space exploration via natural products. Rosen, J., Gottfries, J., Muresan, S., Backlund, A., Oprea, T.I. Journal of Medicinal Chemistry, 2009, 52:1953-62.
  12. 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.
  13. Interactive exploration of chemical space with Scaffold Hunter. Wetzel, S., Klein, K., Renner, S., Rauh, D., Oprea, T.I., Mutzel, P., Waldmann, H. Nature Chemical Biology, 2009, 5:581-3.
  14. 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.
  3. From imide to lactam metallo-pyridocarbazoles: distinct scaffolds for the design of selective protein kinase inhibitors. Pagano N., Wong E.Y., Breiding T., Liu H., Wilbuer A., Bregman H., Shen Q., Diamond S.L., & Meggers E. J Org Chem. 2009, 74(23):8997-9009.
  4. Discovery of chemical modulators of a conserved translational control pathway by parallel screening in yeast. Motlekar N., de Almeida R.A., Pavitt G.D., Diamond S.L., & Napper A.D. Assay Drug Dev Technol. 2009, 7(5):479-94.

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 Biotechno.l, 2009, 27(4):387-94.
  3. Selective and Brain Penetrant Neuropeptide Y Y2 Receptor Antagonists Discovered by Whole-Cell High Throughput Screening. Brothers, S.P., Saldanha, S.A., Spicer, T.P., Cameron, M., Mercer, B.A., Chase, P., McDonald, P., Wahlestedt, C., Hodder, P.S. Mol Pharmacol. 2009, 77(1):46-57.
  4. S1P1 signaling just keeps going and going and going… Calahan, S., & Rosen, H. Nat. Chem. Biol., 2009, 5(6): 377-378.
  5. Unique ligand binding patterns between estrogen receptor alpha and beta revealed by hydrogen-deuterium exchange. Dai, S.Y., Burris, T.P., Dodge, J.A., Montrose-Rafizadeh, C., Wang, Y., Pascal, B.D., Chalmers, M.J., Griffin, P.R. Biochemistry. 2009, 48(40):9668-9676.
  6. Inhibition of adrenocortical carcinoma cell proliferation by steroidogenic factor-1 inverse agonists. Doghman, M., Cazareth, J., Douguet, D., Madoux, F., Hodder, P., Lalli, E. J Clin Endocrinol Metab., 2009, 94(6):2178-2183.
  7. A lipid binding domain in sphingosine kinase 2. Don, A., Rosen, H. Biochem Biophys Res Commun., 2009, 380(1): 87-92.
  8. 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.
  9. A ceramide-1-phosphate analogue, PCERA-1, simultaneously suppresses tumour necrosis factor-alpha and induces interleukin-10 production in activated macrophages. Goldsmith, M., Avni, D., Levy-Rimler, G., Mashiach, R., Ernst, O., Levi, M., Webb, B., Meijler, M.M., Gray, N.S., Rosen, H., Zor, T. Immunology, 2009, 127(1):103-115.
  10. The benzenesulfoamide T0901317 is a novel RORα/γ Inverse Agonist. Kumar, N., Solt, L.A., Conkright, J.J., Wang, Y., Istrate, M.A., Busby, S.A., Garcia-Ordonez, R., Burris, T.P., Griffin, P.R. Mol Pharmacol., 2009, 77(2):228-236.
  11. Identification of specific hemopexin-like domain residues that facilitate matrix metalloproteinase collagenolytic activity. Lauer-Fields, J.L., Chalmers, M.J., Busby, S.A., Minond, D., Griffin, P.R., Fields, G.B. J Biol Chem. 2009, 284(36):24017-24024.
  12. 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.
  13. 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.
  14. Inhibitors of VIM-2 by screening pharmacologically active and click-chemistry compound libraries. Minond, D., Saldanha, S.A., Subramaniam, P., Spaargaren, M., Spicer, T., Fotsing, J.R., Weide, T., Fokin, V.V., Sharpless, K.B., Galleni, M., Bebrone, C., Lassaux, P., Hodder, P. Bioorg Med Chem., 2009, 17(14):5027-5037.
  15. 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.
  16. Efficient methodology for the synthesis of 3-amino-1,2,4-triazoles. Noël, R., Song, X., Jiang, R., Chalmers, M.J., Griffin, P.R., Kamenecka, T.M. J Org Chem., 2009, 74(19):7595-7597.
  17. 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.
  18. 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.
  19. Sphingosine 1-phosphate receptor signaling. Rosen, H., Gonzalez-Cabrera, P.J., Sanna, M.G., & Brown, S. Annual Rev Biochem, 2009, 78:743-768.
  20. Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors. Shin, Y., Chen, W., Habel, J., Duckett, D., Ling, Y.Y., Koenig, M., He, Y., Vojkovsky, T., LoGrasso, P., Kamenecka, T.M. Bioorg Med Chem Lett., 2009,19(12):3344-3347.
  21. S1P1-selective agonist SEW2871 exacerbates reperfusion arrhythmias. Tsukada, Y., Sanna, M., Rosen, H., Gottlieb, R. J Cardiovasc Pharmacol, 2007, 50(6):660-9.
  22. Knowledge-Based Characterization of Similarity Relationships in the Human Protein-Tyrosine Phosphatase Family for Rational Inhibitor Design. Vidovic, D. and Schurer, S. J Med Chem., 2009, 52(21):6649-6659.

Southern Research Institute

  1. High-throughput screening for inhibitors of Mycobacterium tuberculosis H37Rv. Ananthan, S., Faaleolea, E.R., Goldman, R.C., Hobrath, J.V., Kwong, C.D., Laughon, B.E., Maddry, J.A., Mehta, A., Rasmussen, L., Reynolds, R.C., Secrist J.A. 3rd, Shindo, N., Showe, D.N., Sosa, M.I., Suling, W.J., White, E.L. Tuberculosis, 2009, 89(5): 334-353.
  2. Antituberculosis activity of the molecular libraries screening center network library. Maddry, J.A., Ananthan, S., Goldman, R.C., Hobrath, J.V., Kwong, C.D., Maddox, C., Rasmussen, L., Reynolds, R.C., Secrist, J.A. 3rd, Sosa, M.I., White, E.L., Zhang, W. Tuberculosis, 2009, 89(5): 354-363.
  3. 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.

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.