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2011 Publications
Benson SC, Lee L, Wei W, Ni F, Olmos JDJ, Strom KR, Beeler AB, Cheng KC-C, Inglese J, Kota S, Takahashi V, Strosberg AD, Connor JH, Bushkin GG, Snyder JK.. Truncated Aspidosperma Alkaloid-Like Scaffolds: Unique Structures for the Discovery of New, Bioactive Compounds. Heterocycles, 84:1. 2011.
Boutin A, Allen MD, Geras-Raaka E, Huang W, Neumann S, Gershengorn MC. Thyrotropin receptor stimulates internalization-independent persistent phosphoinositide signaling. Molecular Pharmacology, 80(2):240-6. 2011. [PubMed]
Brown L, Cheng KC-C, Ni F, Wei W-G, Yuan P, Trilles R, Yuan J, Dai P, MacArthur R, Guha R, Johnson RL, Su X, Dominguez M, Snyder J, Beeler A, Schaus S, Inglese J, Porco Jr J. Organic Synthesis Toward Small-Molecule Probes and Drugs Special Feature: Discovery of new antimalarial chemotypes through chemical methodology and library development.. Proc Natl Acad Sci U S A, 108(17):6775-80. 2011. [PubMed]
Cardellina JH, Vieira RC, Eccard V, Skerry J, Montgomery V, Campbell Y, Roxas-Duncan V, Leister W, LeClair CA, Maloney DJ, Padula D, Pescitelli G, Khavrutskii I, Hu X, Wallqvist A, Smith LA. Separation of Betti Reaction Product Enantiomers: Absolute Configuration and Inhibition of Botulinum Neurotoxin A. ACS Med. Chem. Lett, 2 (5): 396401. 2011.
Chen CZ, Kulakova L, Southall N, Marugan JJ, Galkin A, Austin CP, Herzberg O, Zheng W.. High-throughput Giardia lamblia viability assay using bioluminescent ATP content measurements. Proc Natl Acad Sci U S A, 55(2):667-75. 2011. [PubMed]
Englund EE, Neumann S, Eliseeva E, McCoy JG, Titus S, Zheng W, Southall N, Shinn P, Leister W, Thomas CJ, Inglese J, Austin CP, Gershengorn MC, Huang W. The Synthesis and Evaluation of Dihydroquinazolin-4-ones and Quinazolin-4-ones as Thyroid Stimulating Hormone Receptor Agonists. MedChemComm, 2011.
Ghoreschi K, Jesson MI, Li X, Lee JL, Ghosh S, Alsup JW, Warner JD, Tanaka M, Steward-Tharp SM, Gadina M, Thomas CJ, Minnerly JC, Storer CE, Labranche TP, Radi ZA, Dowty ME, Head RD, Meyer DM, Kishore N, O'Shea JJ. Modulation of Innate and Adaptive Immune Responses by Tofacitinib (CP-690,550). J Immunol, 186(7):4234-43. 2011. [PubMed]
Guha R. The Ups and Downs of Structure-Activity Landscapes. Methods Mol Biol, 672:101-17. 2011. [PubMed]
Guha R. The Ups and Downs of Structure-Activity Landscapes. Cheminformatics and Computational Chemical Biology, Eds. Bajorath J, Springer, B, 2011; pp. 101-107. 2011.
Guha R, Dexheimer TS, Kestranek AN, Jadhav A, Chervenak AM, Ford MG, Simeonov A, Roth GP, Thomas CJ. Exploratory analysis of kinetic solubility measurements of a small molecule library.. Bioorg Med Chem, 19(13):4127-34. 2011. [PubMed]
Hall MD, Brimacombe KR, Varonka MS, Pluchino KM, Monda JK, Li J, Walsh MJ, Boxer MB, Warren TH, Fales HM, Gottesman MM. Synthesis and Structure-Activity Evaluation of Isatin-beta-thiosemicarbazones with Improved Selective Activity toward Multidrug-Resistant Cells Expressing P-Glycoprotein. J Med Chem, 2011. [PubMed]
Holm TM, Habashi JP, Doyle JJ, Bedja D, Chen YC, van Erp C, Cohn RD, Loeys BL, Thomas CJ, Patnaik S, Marugan JJ, Judge DP, Dietz HC. Noncanonical TGF-Beta signaling contributes to aortic aneurysm progression in Marfan syndrome mice. Science, 332(6027):358-61. 2011. [PubMed]
Huang R, Southall N, Wang Y, Yasgar A, Shinn P, Jadhav A, Nguyen DT, Austin CP.. The NCGC pharmaceutical collection: a comprehensive resource of clinically approved drugs enabling repurposing and chemical genomics.. Science Translational Medicine, 3(80):80ps16.. 2011. [PubMed]
Huang R, Xia M, Cho MH, Sakamuru S, Shinn P, Houck KA, Dix DJ, Judson RS, Witt KL, Kavlock RJ, Tice RR, Austin CP. Chemical genomics profiling of environmental chemical modulation of human nuclear receptors.. Environ Health Perspect, 119(8):1142-8. 2011. [PubMed]
Hwang JY, Huang W, Arnold LA, Huang R, Attia RR, Connelly M, Wichterman J, Zhu F, Augustinaite I, Austin CP, Inglese J, Johnson RL, Guy RK. Methylsulfonylnitrobenzoates (MSNBs): A new class of irreversible inhibitors of the interaction of the thyroid hormone receptor and its obligate coactivators that functionally antagonizes thyroid hormone. J Biol Chem, 286(14):11895-908. 2011. [PubMed]
Jiang JK., Shen M, Thomas CJ, Boxer MB. Chiral Kinase Inhibitors. Curr Top Med Chem, 11(7):800-9. 2011. [PubMed]
Ju W, Zhang M, Jiang J-K, Thomas CJ, Oh U, Byrant BR, Chen J, Sato N, Tagaya Y, Morris JC, Janik JE, Jacobson S, Waldmann TA. CP-690,550, a therapeutic agent, inhibits cytokine-mediated Jak3 activation and proliferation of T cells from patients with ATL and HAM/TSP.. Blood, 117(6):1938-1946. 2011. [PubMed]
Kenyon V, Rai G, Jadhav A, Schultz L, Armstrong M, Jameson JB, Perry S, Joshi N, Bougie JM, Leister W, Taylor-Fishwick DA, Nadler JL, Holinstat M, Simeonov A, Maloney DJ, Holman TR. Discovery of Potent and Selective Inhibitors of Human Platelet-Type 12- Lipoxygenase. J Med Chem, 54(15):5485-97. 2011. [PubMed]
Kiselev E, Deguire S, Morrell A, Agama K, Dexheimer TS, Pommier Y, Cushman M.. 7-Azaindenoisoquinolines as Topoisomerase I Inhibitors and Potential Anticancer Agents. J Med Chem, 54(17):6106-16. 2011. [PubMed]
Lea WA, Simeonov A. Fluorescence polarization assays in small molecule screening. Expert Opinion on Drug Discovery, 6(1): 17-32(16). 2011.
Leister KP, Huang R, Goodwin BL, Chen A, Austin CP, Xia M. Two High Throughput Screen Assays for Measurement of TNF-alpha in THP-1 Cells. Curr Chem Genomics, 5:21-9. 2011. [PubMed]
Martin SE, Wu ZH, Gehlhaus K, Jones TL, Zhang YW, Guha R, Miyamoto S, Pommier Y, Caplen NJ.. RNAi Screening Identifies TAK1 as a Potential Target for the Enhanced Efficacy of Topoisomerase Inhibitors.. Curr Cancer Drug Targets, 2011. [PubMed]
Marugan JJ, Zheng W, Motabar O, Southall N, Goldin E, Westbroek W, Stubblefield B, Sidransky E, Aungst R, Simeonov A, Leister W, Austin CP. Evaluation of Quinazoline analogues as Glucocerebrosidase Inhibitors with Chaperone activity. J Med Chem, 54(4):1033-58. 2011. [PubMed]
Mathews LA, Hurt EM, Cabarcas SM. DNA Repair of Cancer Stem Cells. Springer Publishing, Ruiz M, ed.. 2011.
Morgan HP, McNae IW, Nowicki MW, Zhong W, Michels PA, Auld DS, Fothergill-Gilmore LA, Walkinshaw MD. The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site. J Biol Chem, 286(36):31232-40. 2011. [PubMed]
Neumann S, Eliseeva E, McCoy JG, Napolitano G, Giuliani C, Monaco F, Huang W, Gershengorn MC. A New Small-Molecule Antagonist Inhibits Graves' Disease Antibody Activation of the TSH Receptor. J Clin Endocrinol Metab, 96(2):548-54. 2011. [PubMed]
O'Boyle NM , Guha R, Willighagen EL, Adams SE, Alvarsson J, Bradley J-C, Filippov IV, Hanson RM, Hanwell MD, Hutchison GR, James CA, Jeliazkova M, Lang AS, Langner KM, Lonie DC, Lowe DM, Pansanel J, Pavlov D, Spjuth O, Steinbeck C, Tenderholt AL, Theisen KJ, Murray-Rust P. Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. Murray-Rust group, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge. 4 June 2011.. 2011.
Peterson KE, Cinelli MA, Morrell AE, Mehta A, Dexheimer TS, Agama K, Antony S, Pommier Y, Cushman M. Alcohol-, diol-, and carbohydrate-substituted indenoisoquinolines as topoisomerase I inhibitors: Investigating the relationships involving stereochemistry, hydrogen bonding, and biological activity. J Med Chem, 54(14):4937-4953. 2011. [PubMed]
Prast-Nielsen S, Dexheimer TS, Schultz L, Stafford WC, Cheng Q, Xu J, Jadhav A, Arnér ES, Simeonov A. Inhibition of thioredoxin reductase 1 by porphyrins and other small molecules identified by a high-throughput screening assay. Free Radic Biol Med, 50(9):1114-23. 2011. [PubMed]
Quinn AM, Anton Simeonov A. Methods for Activity Analysis of the Proteins that Regulate Histone Methylation. Curr Chem Genomics, 5, (Suppl 1-M6) 95-105. 2011.
Shukla S, Skoumbourdis AP, Walsh MJ, Hartz AM, Fung KL, Wu CP, Gottesman MM, Bauer B, Thomas CJ, Ambudkar SV.. Synthesis and Characterization of a BODIPY Conjugate of the BCR-ABL Kinase Inhibitor Tasigna (Nilotinib): Evidence for Transport of Tasigna and Its Fluorescent Derivative by ABC Drug Transporters.. Molecular Pharmaceutics, 8(4):1292-1302. 2011. [PubMed]
Shukla SJ, Sakamuru S, Huang R, Moeller TA, Shinn P, Vanleer D, Auld DS, Austin CP, Xia M. Identification of clinically used drugs that activate pregnane X receptors. Drug Metab Dispos, 39(1):151-9. 2011. [PubMed]
Sooryakumar D, Dexheimer TS, Teicher BA, Pommier Y. Molecular and cellular pharmacology of the novel noncamptothecin topoisomerase I inhibitor genz-644282. Mol Cancer Ther, 10(8):1490-9. 2011. [PubMed]
Xia M, Guo V, Huang R, Shahane SA, Austin CP, Nirenberg M, Sharma SK. Inhibition of morphine-induced cAMP overshoot: a cell-based assay model in a high-throughput format. Cellular and Molecular Neurobiology, 31(6):901-7. 2011. [PubMed]
Xia M, Shahane S, Huang R, Titus SA, Shum E, Zhao Y, Southall N, Zheng W, Witt KL, Tice RR, Austin CP. Identification of quaternary ammonium compounds as potent inhibitors of hERG potassium channels. Toxicol Appl Pharmacol, Epub ahead of print. 2011. [PubMed]
Xiao J, Marugan JJ, Zheng W, Titus S , Southall N, Cherry JJ, Evans M, Androphy EJ, Austin CP. Discovery, Synthesis and Biological Evaluation of Novel SMN Protein Modulators. J Med Chem, 2011. [In Press][PubMed]
Yuan J, Cheng KC, Johnson RL, Huang R, Pattaradilokrat S, Liu A, Guha R, Fidock DA, Inglese J, Wellems TE, Austin CP, Su XZ. Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.. Science, 333(6043):724-9. 2011. [PubMed]
Yuan P, Tragon T, Xia M, Leclair CA, Skoumbourdis AP, Zheng W, Thomas CJ, Huang R, Austin CP, Chen G, Guitart X. Phosphodiesterase 4 inhibitors enhance sexual pleasure-seeking activity in rodents. Pharmacol Biochem Behav, Epub ahead of print. 2011. [PubMed]
Zhu W, Lee CY, Johnson RL, Wichterman J, Huang R, DePamphilis ML. An Image Based, High-Throughput, Screening Assay For Molecules That Induce Excess DNA Replication In Human Cancer Cells. Mol Cancer Res, 9(3):294-310. 2011. [PubMed]
2010 Publications
Auld DS, Lovell S, Thorne N, Lea WA, Maloney DJ, Shen M, Rai G, Battaile K, Thomas CJ, Simeonov A, Hanzlik RP, Inglese J. Molecular Basis for the High Affinity Binding and Stabilization of Firefly Luciferase by PTC124. Proc Natl Acad Sci U S A, 107(11):4878-83. 2010. [PubMed]
Auld DS, Thorne N, Boxer MB, Southall N, Shen M, Thomas CJ, Inglese J. Understanding Enzymes as Reporters or Targets in Assays Using Quantitative High-Throughput Screening (qHTS). Experimental Standard Conditions of Enzyme Characterizations; Beilstein Institut, 2010.. 2010.
Boxer MB, Jiang JK, Vader Heiden MG, Shen M, Skoumbourdis AP, Southall NT, Veith H, Leister W, Austin CP, Park HW, Inglese J, Cantley LC, Auld DS, Thomas CJ. Evaluation of Substituted N,N0-Diarylsulfonamides as Activators of the Tumor Cell Specific M2 Isoform of Pyruvate Kinase. J Med Chem, 53(3):1048-55. 2010. [PubMed]
Boxer MB, Quinn AM, Shen M, Jadhav A, Leister W, Simeonov A, Auld DS, Thomas CJ. A Highly Potent and Selective Caspase 1 Inhibitor that Utilizes a Key 3-Cyanopropanoic Acid Moiety. ChemMedChem, 5(5):730-8. 2010. [PubMed]
Davis RE, Ngo VN, Lenz G, Tolar P, Young RM, Romesser PB, Kohlhammer H, Lamy L, Zhao H, Yang Y, Xu W, Shaffer AL, Wright G, Xiao W, Powell J, Jiang J-, Thomas CJ, Rosenwald A, Ott G, Muller-Hermelink HK, Gascoyne RD, Connors JM, Johnson NA, Rimsza LM, Campo E, Jaffe ES, Wilson WH, Delabie J, Smeland EB, Fisher RI, Braziel RM, Tubbs RR, Cook JR, Weisenburger DD, Chan WC, Pierce SK, Staudt LM. Chronic active B-cell-receptor signalling in diffuse large B-cell lymphoma. Nature, 463(7277):88-92. 2010. [PubMed]
Dolle RE, Le Bourdonnec B, Goodman AJ, Morales GA, Thomas CJ, Zhang W. Comprehensive Survey of Chemical Libraries for Drug Discovery and Chemical Biology: 2009. J Comb Chem, 12(6):765-806. 2010. [PubMed]
Dorjsuren D, Kim D, Maloney DJ, Wilson DM, Simeonov A. Complementary Non-radioactive Assays for Investigation of Human Flap Endonuclease 1 (FEN1) Activity. Nucleic Acids Res, 39(2):e11. 2010. [PubMed]
Feng J, Petersen CD, Coy DH, Jiang JK, Thomas CJ, Pollak MR, Wank SA. Calcium-sensing receptor is a physiologic multimodal chemosensor regulating gastric G-cell growth and gastrin secretion. Proc Natl Acad Sci U S A, 107(41):17791-6. 2010. [PubMed]
Ferreira RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ, Shoichet BK. Complementarity Between a Docking and a High-Throughput Screen in Discovering New Cruzain Inhibitors. J Med Chem, 53(13):4891-905. 2010. [PubMed]
Foley TL, Yasgar A, Garcia CJ, Jadhav A, Simeonov A, Burkart MD. Preparation of FRET reporters to support chemical probe development. Org Biomol Chem, 8(20):4601-6. 2010. [PubMed]
Guha R, Gilbert K, Fox G, Pierce M, Wild D, Yuan H. Advances in cheminformatics methodologies and infrastructure to support the data mining of large, heterogeneous chemical datasets. Curr Comput Aided Drug Des, 6(1):50-67. 2010. [PubMed]
Inglese J, Napper A, Auld D. Improving success by balanced critical evaluations of assay methods. Assay Drug Dev Technol, 8(4):517C-517C. 2010. [PubMed]
Jadhav A, Ferreira RS, Klumpp C, Mott BT, Austin CP, Inglese J, Thomas CJ, Maloney DJ, Shoichet BK, Simeonov A. Quantitative Analyses of Aggregation, Autofluorescence, and Reactivity Artifacts in a Screen for Inhibitors of a Thiol Protease. J Med Chem, 53(1):37-51. 2010. [PubMed]
Jiang J-K, Boxer MB, Vander Heiden MG, Shen M, Skoumbourdis AP, Southall N, Veith H, Leister W,. Austin CP, Park HW, Inglese J, Cantley LC, Auld DS, Thomas CJ. Evaluation of substituted N,N'-diarylsulfonamides as activators of the tumor cell specific M2 isoform of pyruvate kinase. J Med Chem, 53(3):1048-55. 2010. [PubMed]
Jiang JK, Boxer MB, Vander Heiden MG, Shen M, Skoumbourdis AP, Southall N, Veith H, Leister W, Austin CP, Park HW, Inglese J, Cantley LC, Auld DS, Thomas CJ. Evaluation of thieno[3,2-b]pyrrole[3,2-d]pyridazinones as activators of the tumor cell specific M2 isoform of pyruvate kinase. Bioorg Med Chem Lett, 20(11):3387-93. 2010. [PubMed]
Ju W, Zhang M, Jiang JK, Thomas CJ, Oh U, Byrant BR, Chen J, Sato N, Tagaya Y, Morris JC, Janik JE, Jacobson S, Waldmann TA. CP-690,550 is a potential therapeutic agent that inhibits interleukin-2 (IL-2), IL-9 and IL-15 mediated Jak3 activation and proliferation of HTLV-I associated T-cells from select patients with ATL and HAM/TSP. Blood, 117(6):1938-46. 2010. [PubMed]
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 DJ. Analysis of Eight Oil Spill Dispersants Using Rapid, In Vitro Tests for Endocrine and Other Biological Activity. Environ Sci Technol, 44(15):5979-85. 2010. [PubMed]
King ON, Li XS, Sakurai M, Kawamura A, Rose NR, Ng SS, Quinn AM, Rai G, Mott BT, Beswick P, Klose RJ, Oppermann U, Jadhav A, Heightman TD, Maloney DJ, Schofield CJ, Simeonov A. Quantitative High-throughput Screening Identifies 8-Hydroxyquinolines as Cell-active Histone Demethylase Inhibitors. PLoS One, 5(11):e15535. 2010. [PubMed]
Leclair CA, Boxer MB, Thomas CJ, Maloney DJ. Total synthesis of LL-Z1640-2 utilizing a late-stage intramolecular Nozaki-Hiyama-Kishi reaction. Tetrahedron Lett, 51(52):6852-6855. 2010. [PubMed]
Letourneau JJ, Riviello CM, Li H, Cole AG, Ho KK, Zanetakos HA, Desai H, Zhao J, Auld DS, Napier SE, Thomson FJ, Goan KA, Morphy JR, Ohlmeyer MH,Webb ML. Identification and optimization of novel 2-(4-oxo-2-aryl-quinazolin-3(4H)-yl)acetamide vasopressin V3 (V1b) receptor antagonists. Bioorg Med Chem Lett, 20(18):5394-7. 2010. [PubMed]
Li L, Shukla S, Lee A, Garfield SH, Maloney DJ, Ambudkar SV, Yuspa SH. The skin cancer chemotherapeutic agent ingenol-3-angelate (PEP005) is a substrate for the epidermal multidrug transporter (ABCB1) and targets tumor vasculature. Cancer Res, 70(11):4509-19. 2010. [PubMed]
Liu F, Chen X, Allali-Hassani A, Quinn AM, Wigle TJ, Wasney GA, Dong A, Senisterra G, Chau I, Siarheyeva A, Norris JL, Kireev DB, Jadhav A, Herold JM, Janzen WP, Arrowsmith CH, Frye SV, Brown PJ, Simeonov A, Vedadi M, Jin J. Protein Lysine Methyltransferase G9a Inhibitors: Design, Synthesis, and Structure Activity Relationships of 2,4-Diamino-7-aminoalkoxy-quinazolines. ACS Chem Biol, 53(15):5844-57. 2010. [PubMed]
Liu K, Southall N, Titus SA, Inglese J, Eskay RL, Shinn P, Austin CP, Heilig MA, Zheng W. A Multiplex Calcium Assay for Identification of GPCR Agonists and Antagonists. Assay Drug Dev Technol, 8(3):367-79. 2010. [PubMed]
Marugan JJ, Zheng W, Motabar O, Southall N, Goldin E, Sidransky E, Aungst RA, Liu K, Sadhukhan SK, Austin CP. Evaluation of 2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one analogues as GAA activators. Eur J Med Chem, 45(5):1880-97. 2010. [PubMed]
McCoy JG, Marugan JJ, Liu K, Zheng W, Southall N, Huang W, Heilig M and Austin CP. Selective Modulation of Gq/Gs pathways by Naphtho Pyrano Pyrimidines as antagonists of the Neuropeptide S Receptor. ACS Chem Neurosci, 1(8):559-574. 2010. [PubMed]
Miller SC, Huang R, Sakamuru S, Shukla SJ, Attene-Ramos MS, Shinn P, Van Leer D, Leister W, Austin CP, Xia M. Identification of known drugs that act as inhibitors of NF-κB signaling and their mechanism of action. Biochem Pharmacol, 79(9):1272-80. 2010. [PubMed]
Motabar O, Liu K, Southall N, Marugan JJ, Goldin E, Sidransky E, Zheng W. High throughput screening for inhibitors of alpha-galactosidase. Curr Chem Genomics, 4:67-73. 2010. [PubMed]
Motabar O, Sidransky E, Goldin E, Zheng W. Fabry disease - current treatment and new drug development. Curr Chem Genomics, 4:50-6. 2010. [PubMed]
Motabar, O., Goldin, E., Zheng, W., and Sidransky, E. Small Molecule Drug Discovery for Fabry Disease. In Fabry Disease D. Elstein, Altarescu, G., Beck, M., ed. (New York, Springer), pp. 163-180. 2010.
Mott BT, Ferreira RS, Simeonov A, Jadhav A, Ang K K-H, Leister W, Shen M, Silveira JT, Doyle PS, Arkin MR, McKerrow JH, Inglese J, Austin CP, Thomas CJ, Shoichet BK, Maloney DJ. Identification and Optimization of Inhibitors of Trypanosomal Cysteine Proteases: Cruzain, Rhodesain, and TbCatB. J Med Chem, 53(1):5260. 2010. [PubMed]
Neumann S, Huang W, Eliseeva E, Titus S, Thomas CJ, Gershengorn MC. A Small Molecule Inverse Agonist for the Human TSH Receptor. Endocrinology, 51(7):3454-9. 2010. [PubMed]
Niesen FH, Schultz L, Jadhav A, Bhatia C, Guo K, Maloney DJ, Pilka ES, Wang M, Oppermann U, Heightman TD, Simeonov A. High-affinity Inhibitors of Human NAD+-dependent 15-Hydroxyprostaglandin Dehydrogenase: Mechanisms of Inhibition and Structure-activity Relationships. PLoS One, 5(11):e13719. 2010. [PubMed]
Quinn A, Allali-Hassani A, Vedadi M, Simeonov A. A Chemiluminescence-based Method for Identification of Histone Lysine Methyltransferase Inhibitors. Mol Biosyst, 6(5):782-8. 2010. [PubMed]
Quinn AM, Bedford MT, Espejo A, Spannhoff A, Austin CP, Oppermann U, Simeonov A. A homogeneous method for investigation of methylation-dependent protein-protein interactions in epigenetics. Nucleic Acids Res, 38(2):e11. 2010. [PubMed]
Rahier NJ, Thomas CJ, Hecht SM. Camptothecin and its Analogues.. Antitumor Agents from Natural Products, Cragg GM, Kingston DGI and Newman DJ. Eds.; CRC Press, 2010.. 2010.
Rai G, Kenyon V, Jadhav A, Schultz L, Armstrong M, Jameson JB, Hoobler E, Leister W, Simeonov A, Holman TR, Maloney DJ. Discovery of Potent and Selective Inhibitors of Human Reticulocyte 15-Lipoxygenase-1. J Med Chem, 53(20):7392-404. 2010. [PubMed]
Rui L, Tolga Emre NC, Kruhlak MJ, Chung HJ, Lenz G, Wright GW, Ngo VN, Shaffer AL, Xu W, Zhao H, Yang Y, Lamy L, Davis RE, Xiao W, Powell J, Thomas CJ, Moller P, Rosenwald A, Ott G, Muller-Hermelink HK, Gascoyne RD, Rimsza LM, Campo E, Jaffe ES, Delabie J, Weisenburger DD, Chan WC, Levens D, Staudt LM. Cooperative Epigenetic Modulation by Cancer Amplicon Genes. Cancer Cell, 18(6):590-605. 2010. [PubMed]
Sakurai M, Rose NR, Schultz L, Quinn AM, Jadhav A, Ng SS, Oppermann U, Schofield CJ, Simeonov A. (2010). A miniaturized screen for inhibitors of Jumonji histone demethylases. Mol Biosyst, 6(2):357-64. 2010. [PubMed]
Shukla SJ, Huang R, Austin CP, Xia M. The future of toxicity testing: a focus on in vitro methods using a quantitative high-throughput screening platform.. Drug Discov Today, 15(23-24):997-1007. 2010. [PubMed]
Spujth O, Willighagen EL, Guha R, Eklund M, Wikberg JES. Towards interoperable and reproducible QSAR analyses: Exchange of datasets. J Cheminform, 2(1):5. 2010. [PubMed]
Terry S, Austin CP, Inglese J, Meeker D, Terry P. Assay, preclinical, and clinical brick walls and opportunities for system change through GRANDRx. Assay Drug Dev Technol, 8(2):128-34. 2010. [PubMed]
Thorne N, Auld DS, Inglese J. Apparent activity in high-throughput screening: origins of compound-dependent assay interference. Curr Opin Chem Biol, 14(3):315-24. 2010. [PubMed]
Thorne N, Inglese J, Auld DS. lluminating Insights into Firefly Luciferase and Other Bioluminescent Reporters Used in Chemical Biology. Chem Biol, 17(6):646-57. 2010. [PubMed]
Wilson DM 3rd and Simeonov A. Small molecule inhibitors of DNA repair nuclease activities of APE1. Cell Mol Life Sci, 67(21):3621-31. 2010. [PubMed]
Yasgar A, Foley TL, Jadhav A, Inglese J, Burkart MD, Simeonov A. A strategy to discover inhibitors of Bacillus subtilis surfactin-type phosphopantetheinyl transferase. Mol Biosyst, 6(2):365-75. 2010. [PubMed]
Yasgar A, Shultz J, Zhou W, Wang H, Huang F, Murphy N, Abel EL, DiGiovanni J, Inglese J, Simeonov A. A High-Throughput 1,536-Well Luminescence Assay for Glutathione S-Transferase Activity. Assay Drug Dev Technol, 8(2):200-11. 2010. [PubMed]
2009 Publications
Auld D, Zhang Y, Southall N, Rai G, Landsman M, Maclure J, Langevin D, Thomas CJ, Austin CP, Inglese J. A Basis for Reduced Chemical Library Inhibition of Firefly Luciferase Obtained from Directed Evolution. J Med Chem, 52(5):1450-8. 2009. [PubMed]
Auld DS, Thorne N, Maguire W, Inglese J. Mechanism of PTC124 activity in cell-based luciferase assays of nonsense codon suppression. Proc Natl Acad Sci U S A, 106(9):3585-90. 2009. [PubMed]
Brimacombe K, Hall M, Auld DS, Inglese J, Austin CP, Gottesman M, Fung K-L. A dual-fluorescence high-throughput cell line system for probing multidrug resistance. Assay Drug Dev Technol, 7(3):233-49. 2009. [PubMed]
Chen B, Wild D, Guha R. PubChem as a Source of Polypharmacology. J Chem Inf Model, 49(9):2044-55. 2009. [PubMed]
Crowe A, Huang W, Ballatore C, Johnson RL, Hogan AM, Huang R, Wichtermann J, McCoy J, Huryn DM, Auld DS, Smith Iii AB, Inglese J, Trojanowski JQ, Austin CP, Brunden KR, Lee VM. The Identification of Aminothienopyridazine Inhibitors of Tau Assembly by Quantitative High-Throughput Screening. Biochemistry, 48(32):7732-45. 2009. [PubMed]
Dolle RE, Le Bourdonnec B, Goodman AJ, Morales GA, Thomas CJ, Zhang W. Comprehensive Survey of Chemical Libraries for Drug Discovery and Chemical Biology: 2008. J Comb Chem, 11(5):739-790. 2009. [PubMed]
Dorjsuren D, Wilson DM, Beard WA, McDonald JP, Austin CP, Woodgate R, Wilson SH, Simeonov A. A Real-time Fluorescence Method for Enzymatic Characterization of Specialized Human DNA Polymerases. Nucleic Acids Res, 37(19):e128. 2009. [PubMed]
Fernandes AF, Bian Q, Jiang J-K, Thomas CJ, Taylor A, Pereira P, Shang F. Proteasome Inactivation Promotes p38 Mitogen-activated Protein Kinase-dependent Phosphatidylinositol 3-kinase Activation and Increases Interleukin-8 Production in Retinal Pigment Epithelial Cells. Mol Biol Cell, 20(16):3690-9. 2009. [PubMed]
Hancock MK, Xia M, Frey ES, Sakamuru S, Bi K. HTS-Compatible Beta-Lactamase Transcriptional Reporter Gene Assay for Interrogating the Heat Shock Response Pathway. Curr Chem Genomics, 3:1-6. 2009. [PubMed]
Huang R, Southall N, Xia M, Cho MH, Jadhav A, Nguyen DT, Inglese J, Tice RR, Austin CP. Weighted Feature Significance (WFS): A Simple, Interpretable Model of Compound Toxicity Based on the Statistical Enrichment of Structural Features. 112(2):385-93. 2009. [PubMed]
Huang W, Zheng W, Urban D, Jadhav A, Inglese J, Sidransky E, Austin C, Thomas C. Scaffold overlap between related triazine and quinazoline small molecule glucocerebrosidase inhibitors results in improved potency. Bioorg Med Chem Lett, 2009. [In Press]
Inglese J, Thorne N, Auld DS. Reply to Peltz et al: Post-translational stabilization of the firefly luciferase reporter by PTC124 (Ataluren). Proc Natl Acad Sci U S A, 106(25), pp E65. 2009.
Jadhav A. Enabling the Large-Scale Analysis of Qunatitative High-Throughput Screening Data. Handbook of Drug Screening, Second Edition, ed. Seethala R & Zhang L. (Informa Healthcare) pp 442-465. 2009.
Johnson RL, Huang R, Jadhav A, Southall H, Wichterman J, MacArthur R, Xia M, Bi K, Printen J, Austin CP, Inglese J. A Quantitative High-Throughput Screen for Modulators of IL-6 Signaling: A Model for Interrogating Biological Networks using Chemical Libraries. Mol Biosyst, 5(9):1039-50. 2009. [PubMed]
Kajiyama H, Titus S, Austin CP, Chiotos K, Matsumoto T, Sakairi T, Kopp JB. Tetracycline-inducible gene expression in conditionally immortalized mouse podocytes. Am J Nephrol, 29(3):153-63. 2009. [PubMed]
Kavlock RJ, Austin CP, Tice RR. Toxicity Testing in the 21st Century: Implications for Human Health Risk Assessment. Risk Anal, 29(4):485-7. 2009. [PubMed]
Lea WA, Xi J, Jadhav A, Lu L, Austin CP, Simeonov A, Eckenhoff RG. A High-throughput Approach for Identification of Novel General Anesthetics. PLoS One, 4(9):e7150. 2009. [PubMed]
Liu F, Chen X, Allali-Hassani A, Quinn AM, Wasney GA, Dong A, Barsyte D, Kozieradzki I, Senisterra G, Chau I, Siarheyeva A, Kireev DB, Jadhav A, Herold JM, Frye SV, Arrowsmith CH, Brown PJ, Simeonov A, Vedadi M, Jin J. Discovery of a 2,4-Diamino-7-aminoalkoxyquinazoline as a Potent and Selective Inhibitor of Histone Lysine Methyltransferase G9a. J Med Chem, 52(24):7950-7953. 2009. [PubMed]
MacArthur R, Leister W, Veith H, Shinn P, Southall N, Austin CP, Inglese J, and Auld DS. Monitoring Compound Integrity With Cytochrome P450 Assays and qHTS. J Biomol Screen, 14(5):538-46. 2009. [PubMed]
Marchand C, Lea W, Jadhav A, Dexheimer T, Austin C, Inglese J, Pommier Y, Simeonov A. Identification of phosphotyrosine mimetic inhibitors of Human Tyrosyl-DNA Phosphodiesterase I by a novel AlphaScreen high-throughput assay. Mol Cancer Ther, 8(1):242-250. 2009. [PubMed]
Motabar O, Shi Z-D, Goldin E, Liu K, Southall N, Sidransky E, Austin CP, Griffiths GL and Zheng W. A New Resorufin-Based Alpha-Glucosidase Substrate for High Throughput Screening. Anal Biochem, 390:79-84. 2009. [PubMed]
Mott BT, Tanega C, Shen M, Maloney DJ, Shinn P, Leister W, Marugan JJ, Inglese J, Austin CP, Misteli T, Auld DS, Thomas CJ. Evaluation of substituted 6-arylquinazolin-4-amines as potent and selective inhibitors of cdc2-like kinases (Clk). Bioorg Med Chem Lett, 19(23):6700-5. 2009. [PubMed]
Neumann S, Huang W, Titus S, Krause G, Kleinau G, Alberobello AT, Zheng W, Southall NT, Inglese J, Austin CP, Celi FS, Gavrilova O, Thomas CJ, Raaka BM, Gershengorn MC. Small-molecule agonists for the thyrotropin receptor stimulate thyroid function in human thyrocytes and mice. Proc Natl Acad Sci U S A, 106:12471-6. 2009. [PubMed]
Norton JT, Titus SA, Dexter D, Austin CP, Zheng W, Huang S. Automated high-content screening for compounds that disassemble the perinucleolar compartment. J Biomol Screen, 14(9):1045-53. 2009. [PubMed]
Parham F, Austin C, Southall N, Huang R, Tice R, Portier C. Dose-response modeling of high-throughput screening data. J Biomol Screen, 14(10):1216-27. 2009. [PubMed]
Patnaik S, Dietz HC, Zheng W, Austin C, Marugan JJ. Multi-gram scale synthesis of FR180204. J Org Chem, 74(22):8870-3. 2009. [PubMed]
Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arner ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ. Structure Mechanism Insights and the Role of Nitric Oxide Donation Guide the Development of Oxadiazole-2-Oxides as Therapeutic Agents against Schistosomiasis. J Med Chem, 52(20):6474-83. 2009. [PubMed]
Rai G, Thomas CJ, Leister W, Maloney DJ. Synthesis of Oxadiazole-2-oxide Analogues as Potential Antischistosomal Agents. Tetrahedron Lett, 50(15):1710-1713. 2009. [PubMed]
Shi Z-D, Motabar O, Goldin E, Liu K, Southall N, Sidransky E, Austin CP, Griffiths GL, Zheng W. Synthesis and Characterization of a New Fluorogenic Substrate for Alpha-Galactosidase. Anal Bioanal Chem, 394:1903-1909. 2009. [PubMed]
Shukla SJ, Nguyen D-T, MacArthur R, Simeonov A, Frazee WJ, Hallis TM, Marks BD, Singh U, Eliason HC, Printen J, Austin CP, Inglese J, Auld DS. Identification of Pregnane X Receptor Ligands Using Time-Resolved Fluorescence Resonance Energy Transfer and Quantitative High-Throughput Screening. Assay Drug Dev Technol, 7(2):143-69. 2009. [PubMed]
Simeonov A, Kulkarni A, Dorjsuren D, Jadhav A, Shen M, McNeill DR, Austin CP, Wilson DM 3rd. Identification and Characterization of Inhibitors of Human Apurinic/apyrimidinic Endonuclease APE1. PLoS One, 4(6):e5740. 2009. [PubMed]
Skoumbourdis AP, LeClair CA, Stefan E, Turjanski AG, Maguire W, Titus SA, Huang R, Auld DS, Inglese J, Austin CP, Michnick SW, Xia M, Thomas CJ. Exploration and Optimization of Substituted Triazolothiadiazines and Triazolopyridazines as PDE4 Inhibitors. Bioorg Med Chem Lett, 19(13):3686-3692. 2009. [PubMed]
Tanega C, Shen M, Mott BT, Thomas CJ, MacArthur R, Inglese J, Auld DS. Comparison of a Bioluminescent Kinase Assays using Substrate Depletion and Product Formation. Assay Drug Dev Technol, 7(6):606-614. 2009. [PubMed]
Thomas CJ, Auld DS, Huang R, Huang W, Jadhav A, Johnson RL, Leister W, Maloney DJ, Marugan JJ, Michael S, Simeonov A, Southall N, Xia M, Zheng W, Inglese J, Austin CP. The Pilot Phase of the NIH Chemical Genomics Center: Paradigms, Profiles and Probes. Curr Top Med Chem, 9(13):1181-93. 2009. [PubMed]
Thomas, CJ. Chemical safety: preparation and use of nitroacetonitrile. Chemical & Engineering News, 87(32), 4-6. 2009.
Titus SA, Beacham D, Shahane SA, Southall N, Xia M, Huang R, Hooten E, Zhao Y, Shou L, Austin CP, Zheng W. A new homogeneous high-throughput screening assay for profiling compound activity on the human ether-a-go-go-related gene channel. Anal Biochem, 394(1):30-38. 2009. [PubMed]
Toronto International Data Release Workshop Authors, Birney E, Hudson TJ, Green ED, Gunter C, Eddy S, Rogers J, Harris JR, Ehrlich SD, Apweiler R, Austin CP, Berglund L, Bobrow M, Bountra C, Brookes AJ, Cambon-Thomsen A, Carter NP, Chisholm RL, Contreras JL, Cooke RM, Crosby WL, Dewar K, Durbin R, Dyke SO, Ecker JR, El Emam K, Feuk L, Gabriel SB, Gallacher J, Gelbart WM, Granell A, Guarner F, Hubbard T, Jackson SA, Jennings JL, Joly Y, Jones SM, Kaye J, Kennedy KL, Knoppers BM, Kyrpides NC, Lowrance WW, Luo J, MacKay JJ, Martín-Rivera L, McCombie WR, McPherson JD, Miller L, Miller W, Moerman D, Mooser V, Morton CC, Ostell JM, Ouellette BF, Parkhill J, Raina PS, Rawlings C, Scherer SE, Scherer SW, Schofield PN, Sensen CW, Stodden VC, Sussman MR, Tanaka T, Thornton J, Tsunoda T, Valle D, Vuorio EI, Walker NM, Wallace S, Weinstock G, Whitman WB, Worley KC, Wu C, Wu J, Yu J. Prepublication data sharing. Nature, 461(7261):168-70. 2009. [PubMed]
Veith H, Southall N, Huang R, James T, Fayne D, Artemenko N, Shen M, Inglese J, Austin CP, Lloyd DG, Auld DS. Comprehensive characterization of cytochrome P450 isozyme selectivity across chemical libraries. Nat Biotechnol, 27(11):1050-5. 2009. [PubMed]
Wang Z, Zheng M, Li Z, Li R, Jia L, Xiong X, Southall N, Wang S, Xia M, Austin CP, Zheng W, Xie Z, Sun Y. Cardiac glycosides inhibit p53 synthesis by a mechanism relieved by Src or MAPK inhibition. Cancer Res, 69:6556-64. 2009. [PubMed]
Xia M, Bi K, Huang R, Cho MH, Sakamuru S, Miller SC, Li H, Sun Y, Printen J, Austin CP, Inglese J. Identification of small molecule compounds that inhibit the HIF-1 signaling pathway. Mol Cancer, 8:117. 2009. [PubMed]
Xia M, Guo V, Huang R, Inglese J, Nirenberg M, Austin CP. A Cell-based Beta-Lactamase Reporter Gene Assay for the CREB Signaling Pathway. Curr Chem Genomics, 3(1):7-12. 2009. [PubMed]
Xia M, Huang R, Gou V, Southall N, Cho M, Inglese J, Austin CP, Nirenberg M. Identification of Compounds that Potentiate CREB Signaling as Possible Enhancers of Long-Term Memory. Proc Natl Acad Sci U S A, 106(7):2412-2417. 2009. [PubMed]
Xia M, Huang R, Sun Y, Semenza GL, Aldred SF, Witt KL, Inglese J, Tice RR, Austin CP. Identification of Chemical Compounds that Induce HIF-1{alpha} Activity. Toxicol Sci, 112(1):153-63. 2009. [PubMed]
Yi F, Zhu P, Southall N, Inglese J, Austin C, Zheng W, Regan L. An AlphaScreen Based High-throughput Screen to Identify Inhibitors of Hsp90 and Cochaperone Interaction. J Biomol Screen, 14(3):273-81. 2009. [PubMed]
Yuan J, Johnson RL, Huang R, Wichterman J, Jian Y, Hayton K, Fidock DA, Wellems TE, Inglese J, Austin CP, Su X-Z. Screening and genetic mapping targets of differential chemical-response phenotypes in Plasmodium falciparum. Nat Chem Biol, 5(10):765-71. 2009. [PubMed]
Zheng W, Liu K, Inglese, J. Practical Approach to Quantitative High Throughput Screening. 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.
Zhu PJ, Hobson P, Southall N, Qiu C, Thomas C, Lu J, Inglese J, Zheng W, Leppla S, Bugge T, Austin C, Liu S. Quantitative high throughput screening identifies inhibitors of anthrax-induced cell death. Bioorg Med Chem Lett, 17(14):5139-45. 2009. [PubMed]
2008 Publications
Auld DS & Thorne N. Molecular Sensors for Transcriptional and Post Transcriptional Assays. Chemical Genomics, ed. Fu H. (Cambridge University Press). 2008.
Auld DS, Southall N, Jadhav A, Johnson RL, Diller D, Simeonov A, Austin CP, Inglese J. Characterization of chemical libraries for luciferase inhibitory activity. J Med Chem, 51(8):2372-86. 2008. [PubMed]
Auld DS, Thorne N, Nguyen DT, Inglese J. A specific mechanism for nonspecific activation in reporter-gene assays. ACS Chem Biol, 3(8):463-470. 2008. [PubMed]
Babaoglu K, Simeonov A, Irwin JJ, Nelson ME, Feng B, Thomas CJ, Cancian L, Costi MP, Maltby DA, Jadhav A, Inglese J, Austin CP, Shoichet BK 51 (8), pp 25022511. A comprehensive parallel virtual and experimental high-throughput screen for β-lactamase inhibitors. J Med Chem, 51(8):2502-11. 2008. [PubMed]
Beller, M, Sztalryd, C, Southall, N, Bell M, Jackle H, Auld DS, Oliver B. COPI complex is a regulator of lipid homeostasis. PLoS Biol, 6(11):e292. 2008. [PubMed]
Cho MH, Niles A, Huang R, Inglese J, Austin CP, Riss T, Xia M. A bioluminescent cytotoxicity assay for assessment of membrane integrity using a proteolytic biomarker. Toxicol In Vitro, 22(4):1099-1106. 2008. [PubMed]
Dolle RE, Le Bourdonnec B, Goodman AJ, Morales GA, Thomas CJ, Zhang W. Comprehensive Survey of Chemical Libraries for Drug Discovery and Chemical Biology: 2007. J Comb Chem, 10(6):753802. 2008. [PubMed]
Engel S, Skoumbourdis AP, Childress J, Neumann S, Deschamps JR, Thomas CJ, Colson AO, Costanzi S, Gershengorn MC. A virtual screen for diverse ligands: discovery of selective G protein-coupled receptor antagonists. J Am Chem Soc, 130(15):5115-5123. 2008. [PubMed]
Huang R, Southall N, Cho MH, Xia M, Inglese J, Austin CP. Characterization of diversity in toxicity mechanism using in vitro cytotoxicity assays in quantitative high throughput screening. Chem Res Toxicol, 21(3):659-667. 2008. [PubMed]
Inglese J, Auld DS. High Throughput Screening (HTS) Techniques: Overview of Applications in Chemical Biology. Wiley Encyclopedia of Chemical Biology, ed. Begley T (John Wiley & Sons, Inc.). 2008.
Jiang J, Ghoreschi K, Deflorian F, Chen Z, Perreira M, Pesu M, Smith J, Nguyen D, Liu EH, Leister W, Costanzi S, O'Shea JJ, Thomas CJ. 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). J Med Chem, 51(24):8012-8. 2008. [PubMed]
Johnson RL, Huang W, Jadhav A, Austin CP, Inglese J, Martinez ED. A quantitative high-throughput screen identifies potential epigenetic modulators of gene expression. Anal Biochem, 375(2):237-48. 2008. [PubMed]
Kimple AJ, Yasgar A, Hughes M, Jadhav A, Willard FS, Muller RE, Austin CP, Inglese J, Ibeanu GC, Siderovski DP, Simeonov A. A high throughput fluorescence polarization assay for inhibitors of the GoLoco motif/G-alpha interaction. Comb Chem High Throughput Screen, 11(5):396-409. 2008. [PubMed]
Lea WA, Jadhav A, Rai G, Sayed AA, Cass CL, Inglese J, Williams DL, Austin CP, Simeonov A. A 1,536-Well-Based Kinetic HTS Assay for Inhibitors of Schistosoma mansoni Thioredoxin Glutathione Reductase. Assay Drug Dev Technol, 6(4):551-5. 2008. [PubMed]
Liu K, Titus S, Southall N, Zhu P, Inglese J, Austin CP, Zheng W Current Chemical Genomics. Comparison on Functional Assays for Gq-coupled GPCRs by Measuring Inositol Monophospate and Intracellular Calcium in 1536-well Plate Format. Curr Chem Genomics, 1:70-78. 2008. [PubMed]
Marinello J, Marchand C, Mott BT, Bain A, Thomas CJ, Pommier Y. Comparison of raltegravir and elvitegravir on HIV-1 integrase catalytic reactions and on a series of drug-resistant integrase mutants. Biochemistry, 47(36):9345-9354. 2008. [PubMed]
Michael S, Auld D, Klumpp C, Jadhav A, Zheng W, Thorne N, Austin CP, Inglese J, Simeonov A. A robotic platform for quantitative high-throughput screening. Assay Drug Dev Technol, 6(5):637-57. 2008. [PubMed]
Neumann S, Kleinau G, Costanzi S, Moore S, Jiang JK, Raaka BM, Thomas CJ, Krause G, Gershengorn MC. A low-molecular-weight antagonist for the human thyrotropin receptor with therapeutic potential for hyperthyroidism. Endocrinology, 149(12):5945-5950. 2008. [PubMed]
Ping, JZ, Zheng, W, Auld, DS, Jadhav, A, MacArthur, R, Olson, KR, Peng, K, Dotimas, H, Austin, CP, Inglese, J. A miniaturized glucocorticoid receptor translocation assay using enzymatic fragment complementation evaluated with qHTS. Comb Chem High Throughput Screen, 11(7):545-559. 2008. [PubMed]
Readinger JA, Schiralli GM, Jiang JK, Thomas CJ, August A, Henderson AJ, Schwartzberg PL. Selective targeting of ITK blocks multiple steps of HIV replication. Proc Natl Acad Sci U S A, 105(18):6684-6689. 2008. [PubMed]
Sayed AA, Simeonov A, Thomas CJ, Inglese J, Austin CP, Williams DL. Identification of oxadiazoles as new drug leads for the control of schistosomiasis. Nat Med, 14(4):407-412. 2008. [PubMed]
Simeonov A, Jadhav A, Sayed AA, Wang Y, Nelson ME, Thomas CJ, Inglese J, Williams DL, Austin CP. Quantitative High-throughput screen identifies inhibitors of the Schistosoma mansoni redox cascade. PLoS Negl Trop Dis, 2(1):1-10;e127. 2008. [PubMed]
Simeonov A, Jadhav A, Thomas CJ, Wang Y, Huang R, Southall N, Shinn P, Smith J, Austin CP, Auld DS, Inglese J. Fluorescence spectroscopic profiling of compound libraries. J Med Chem, 51(8):2363-71. 2008. [PubMed]
Simeonov A, Yasgar A, Jadhav A, Rao L, Klumpp C, Michael S, Austin CP, Natarajan A, Inglese J. Dual-fluorophore quantitative high-throughput screen for inhibitors of BRCT-pBACH1 interaction. Anal Biochem, 375(1):60-70. 2008. [PubMed]
Skoumbourdis AP, Huang R, Southall N, Leister W, Guo V, Cho M-H, Inglese J, Nirenberg M, Austin CP, Xia M, Thomas CJ. Identification of a potent new chemotype for the selective inhibition of PDE4. Bioorg Med Chem Lett, 18(4):1297-303. 2008. [PubMed]
Southall N, Jadhav A, Huang R, Nguyen T, Wang Y. Enabling the Large Scale Analysis of Quantitative High Throughput Screening Data. ACS Chem Biol, Handbook of Drug Screening, second edition. Litao Zhang, ed. May 15, 2008. 2008.
Titus S, Neumann S, Zheng W, Southall N, Michael S, Klumpp C, Yasgar A, Shinn P, Thomas CJ, Inglese J, Gershengorn MC, Austin CP. Quantitative high throughput screening using a live cell cAMP assay identifies small molecule agonists of the TSH receptor. J Biomol Screen, 13(2):120-7. 2008. [PubMed]
Titus SA, Li X, Southall N, Lu J, Inglese J, Brasch M, Austin CP, Zheng W. A cell-based PDE assay in 1536-well plate format for high-throughput screening. J Biomol Screen, 13(7):609-18. 2008. [PubMed]
Urban DJ, Zheng W, Goker-Alpan O, LaMarca ME, Inglese J, Sidransky E, Austin CP. Optimization and Validation of Two Miniaturized Glucocerebrosidase Enzyme Assays for High Throughput Screening. Comb Chem High Throughput Screen, 11:817-824. 2008. [PubMed]
Xia M, Huang R, Witt KL, Southall N, Fostel J, Cho M-H, Jadhav A, Smith CS, Inglese J, Portier CJ, Tice RR, Austin CP. Compound cytotoxicity profiling using quantitative high-throughput screening. Environ Health Perspect, 116(3):284-91. 2008. [PubMed]
Xie Y, Deng S, Thomas CJ, Liu Y , Zhang Y-Q, Rinderspacher A, Huang W, Gong G, Wyler M, Cayanis E, Aulner N, Többen U, Chung C, Pompo S, Southall N, Vidovic D, Schürer S, Mayer T, Branden L, Davis RE, Staudt LM, Inglese J, Austin CP, Landry DW, Smith DH, Auld DS. Identification of N-(quinolin-8-yl)benzenesulfonamides as agents capable of down-regulating NFκB activity within two separate high-throughput screens of NFκB activation. Bioorg Med Chem Lett, 18:329-335. 2008. [PubMed]
Yasgar A, Shinn P, Jadhav A, Auld D, Michael S, Zheng W, Austin CP, Inglese J, Simeonov A. Compound management for quantitative high-throughput screening.. JALA Charlottesv Va, 13(2): 7989. 2008. [PubMed]
Zhu PJ, Zheng W, Auld DS, Jadhav A, MacArthur R, Olson KR, Peng K, Dotimas H, Austin CP, Inglese J. A miniaturized glucocorticoid receptor translocation assay using enzymatic fragment complementation evaluated with qHTS. Comb Chem High Throughput Screen, 11(7):545-59. 2008. [PubMed]
2007 Publications
Auld DS, Inglese J, Jadhav A, Austin CP, Sittampalam GS, Montrose-Rafizadeh C, Mcgee JE, Iversen PW. HTS technologies to facilitate chemical genomics. Eur. Pharm. Rev., 2:53-63. 2007.
Davis RE, Zhang Y-Q, Southall N, Staudt LM, Austin CP, Inglese J, Auld DS. A Cell-Based Assay for IκBα Stabilization Using A Two-Color Dual Luciferase-Based Sensor. Assay Drug Dev Technol, 5(1):85-103. 2007. [PubMed]
Feng BY, Simeonov A, Jadhav A, Babaoglu K, Inglese J, Shoichet BK, Austin CP. A high-throughput screen for aggregation-based inhibition in a large compound library. J Med Chem, 50:2385-2390. 2007. [PubMed]
Gerhold, D, Bagchi, A, Lu, M, Figueroa, D, Keenan, K, Holder, D, Wang, Y, Jin, H, Connolly, B, Austin, C, Alonso-Galicia, M. Androgens drive divergent responses to salt stress in male versus female rat kidneys. Genomics, 89(6):731-44. 2007. [PubMed]
Honson NS, Johnson R, Huang W, Inglese J, Austin CP, Kuret J. Differentiating Alzheimer disease-associated aggregates with small molecules. Neurobiol Dis, 28(3):251-60. 2007. [PubMed]
Huang W, Zheng W, Urban D, Inglese J, Sidransky E, Austin CP, Thomas CJ. 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. Bioorg Med Chem Lett, 17:5783-5789. 2007. [PubMed]
Inglese J, Johnson RL, Simeonov A, Xia M, Zheng W, Austin CP, Auld DS. High-throughput screening assays for the identification of chemical probes. Nat Chem Biol, 3:466-479. 2007. [PubMed]
Inglese J, Shamu CE, Guy RK. Reporting data from high-throughput screening of small molecule libraries. Nat Chem Biol, 3:438-441. 2007. [PubMed]
Kim EJ, Amorelli B, Abdo M, Thomas CJ, Love DC, Knapp S, Hanover JA. Differential inhibition of OGA isoforms by an α-GlcNAc thiolsulfonate. J Am Chem Soc, 129:14854-14855. 2007. [PubMed]
Simeonov A, Yasgar A, Klumpp C, Zheng W, Shafqat N, Oppermann U, Austin CP, Inglese J. Evaluation of micro-parallel liquid chromatography (μPLC) as a method for HTS-coupled actives verification. Assay Drug Dev Technol, 5(6):815-24. 2007. [PubMed]
Skoumbourdis AP, Moore S, Landsman M, Thomas CJ. Synthesis of substituted 2-phenylhistamines via a microwave promoted suzuki coupling. Tetrahedron Lett, 48(52):9140-9143. 2007. [PubMed]
Tikhonova IG, Shing SC, Neumann S, Thomas CJ, Raaka BM, Costanzi S, Gershengorn MC. Bi-directional, iterative approach to the structural delineation of the functional 'chemoprint' in GPR40 for agonist recognition. J Med Chem, 50:2981-2989. 2007. [PubMed]
Zheng W, Padia J, Urban DJ, Jadhav A, Goker-Alpan O, Simeonov A, Goldin E, Auld D, LaMarca ME, Inglese J, Austin CP, Sidransky E. Three novel structural classes of glucocerebrosidase inhibitors identified by qHTS as chemical chaperone leads for Gaucher disease. Proc Natl Acad Sci U S A, 104(32):13192-7. 2007. [PubMed]
2006 Publications
Auld DS, Johnson RL, Zhang Y-Q, Veith H, Jadhav A, Yasgar A, Simeonov A, Zheng W, Martinez ED, Westwick JK, Austin CP, Inglese J. Fluorescent protein-based cellular assays analyzed by laser-scanning microplate cytometry in 1536-well plate format. Methods Enzymol, 414: 566-589. 2006. [PubMed]
Inglese J, Auld DS, Jadhav A, Johnson RL, Simeonov A, Yasgar A, Zheng W, Austin CP. Quantitative high-throughput screening: A titration-based approach that efficiently identifies biological activities in large chemical libraries. Proc Natl Acad Sci U S A, 103:11473-11478. 2006. [PubMed]
Parker CN, Shamu CE, Kraybill B, Austin CP, Bajorath J. Measure, mine, model, and manipulate: the future for HTS and chemoinformatics?. Drug Discov Today, 11(19-20):863-5. 2006. [PubMed]
2004 Publications
Austin CP. The Impact of the Completed Human Genome Sequence on the Development of Novel Therapeutics for Human Disease. Annu Rev Med, 55:1-13. 2004. [PubMed]
Austin CP, Battery JF, Bucan M, Capecchi M, Collins FS, Dove WF, Duyk G, Dymecki S, Eppig JT, Grieder FB, HeintzN, Hicks G, Insel TR, Joyner A, Koller BH, Lloyd KCK, Magnuson T, Moore MW, Nagy A, Pollock JD, Roses AD, Sands AT, Seed B, Skarnes WC, Snoddy J, Soriano P, Steward DJ, Stewart F, Stillman B, Varmus H, Varticovski L, Verma IM, Vogt TF, vonMelchner H, Witkowski J, Woychik RP, Wurst W, Yancopoulus GD, Young SG, Zambrowicz B. The Knockout Mouse Project. Nat Genet, 36(9):921-4. 2004. [PubMed]
Austin CP, Brady LS, Insel TR, Collins FS. NIH Molecular Libraries Initiative. Science, 306(5699):1138-9. 2004. [PubMed]
2002 Publications
Inglese, J. Expanding the HTS Paradigm. Drug Discov Today, 7(18 Suppl):S105-6. 2002. [PubMed]
