Publications & References -

High-throughput kinase profiling as a platform for drug discovery.
Goldstein DM, Gray NS, Zarrinkar PP.. High-throughput kinase profiling as a platform for drug discovery.. Nat Rev Drug Discov. 2008 May;7(5):391-7.. PMID:18404149
AC220 is a uniquely potent and selective inhibitor of FLT3 for the treatment of acute myeloid leukemia (AML).
Zarrinkar PP, Gunawardane RN, Cramer MD, Gardner MF, Brigham D, Belli B, Karaman MW, Pratz KW, Pallares G, Chao Q, Sprankle KG, Patel HK, Levis M, Armstrong RC, James J, Bhagwat SS.. AC220 is a uniquely potent and selective inhibitor of FLT3 for the treatment of acute myeloid leukemia (AML).. Blood. 2009 Oct 1;114(14):2984-92. Epub 2009 Aug 4.. PMID:19654408
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry.
Wodicka LM, Ciceri P, Davis MI, Hunt JP, Floyd M, Salerno S, Hua XH, Ford JM, Armstrong RC, Zarrinkar PP, Treiber DK.. Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry.. Chem Biol. 2010 Nov 24;17(11):1241-9.. PMID:21095574
An orally bioavailable positive allosteric modulator of the mGlu4 receptor with efficacy in an animal model of motor dysfunction.
East SP, Bamford S, Dietz MG, Eickmeier C, Flegg A, Ferger B, Gemkow MJ, Heilker R, Hengerer B, Kotey A, Loke P, Schänzle G, Schubert HD, Scott J, Whittaker M, Williams M, Zawadzki P, Gerlach K.. An orally bioavailable positive allosteric modulator of the mGlu4 receptor with efficacy in an animal model of motor dysfunction.. Bioorg Med Chem Lett. 2010 Aug 15;20(16):4901-5. Epub 2010 Jun 25.. PMID:20638279
Structural determinants in the second intracellular loop of the human cannabinoid CB1 receptor mediate selective coupling to G(s) and G(i).
Chen XP, Yang W, Fan Y, Luo JS, Hong K, Wang Z, Yan JF, Chen X, Lu JX, Benovic JL, Zhou NM.. Structural determinants in the second intracellular loop of the human cannabinoid CB1 receptor mediate selective coupling to G(s) and G(i).. Br J Pharmacol. 2010 Dec;161(8):1817-34. doi: 10.1111/j.1476-5381.2010.01006.x.. PMID:20735408
Conserved water-mediated hydrogen bond network between TM-I, -II, -VI, and -VII in 7TM receptor activation.
Nygaard R, Valentin-Hansen L, Mokrosinski J, Frimurer TM, Schwartz TW.. Conserved water-mediated hydrogen bond network between TM-I, -II, -VI, and -VII in 7TM receptor activation.. J Biol Chem. 2010 Jun 18;285(25):19625-36. Epub 2010 Apr 15.. PMID:20395291
Falcarinol is a covalent cannabinoid CB1 receptor antagonist and induces pro-allergic effects in skin.
Leonti M, Casu L, Raduner S, Cottiglia F, Floris C, Altmann KH, Gertsch J.. Falcarinol is a covalent cannabinoid CB1 receptor antagonist and induces pro-allergic effects in skin.. Biochem Pharmacol. 2010 Jun 15;79(12):1815-26. Epub 2010 Mar 3.. PMID:20206138
Neuropeptide FF receptors have opposing modulatory effects on nociception.
Lameh J, Bertozzi F, Kelly N, Jacobi PM, Nguyen D, Bajpai A, Gaubert G, Olsson R, Gardell LR.. Neuropeptide FF receptors have opposing modulatory effects on nociception.. J Pharmacol Exp Ther. 2010 Jul;334(1):244-54. Epub 2010 Mar 30.. PMID:20354177
Preclinical characterization of BRL 44408: antidepressant- and analgesic-like activity through selective alpha2A-adrenoceptor antagonism.
Dwyer JM, Platt BJ, Rizzo SJ, Pulicicchio CM, Wantuch C, Zhang MY, Cummons T, Leventhal L, Bender CN, Zhang J, Kowal D, Lu S, Rajarao SJ, Smith DL, Shilling AD, Wang J, Butera J, Resnick L, Rosenzweig-Lipson S, Schechter LE, Beyer CE.. Preclinical characterization of BRL 44408: antidepressant- and analgesic-like activity through selective alpha2A-adrenoceptor antagonism.. Int J Neuropsychopharmacol. 2010 Oct;13(9):1193-205. Epub 2010 Jan 5.. PMID:20047711
Identification of potent 11mer glucagon-like peptide-1 receptor agonist peptides with novel C-terminal amino acids: Homohomophenylalanine analogs.
Haque TS, Lee VG, Riexinger D, Lei M, Malmstrom S, Xin L, Han S, Mapelli C, Cooper CB, Zhang G, Ewing WR, Krupinski J.. Identification of potent 11mer glucagon-like peptide-1 receptor agonist peptides with novel C-terminal amino acids: Homohomophenylalanine analogs.. Peptides. 2010 May;31(5):950-5. Epub 2010 Feb 4.. PMID:20138099
Indol-3-ylcycloalkyl ketones: effects of N1 substituted indole side chain variations on CB(2) cannabinoid receptor activity.
Frost JM, Dart MJ, Tietje KR, Garrison TR, Grayson GK, Daza AV, El-Kouhen OF, Yao BB, Hsieh GC, Pai M, Zhu CZ, Chandran P, Meyer MD.. Indol-3-ylcycloalkyl ketones: effects of N1 substituted indole side chain variations on CB(2) cannabinoid receptor activity.. J Med Chem. 2010 Jan 14;53(1):295-315.. PMID:19921781
4-Substituted-7-N-alkyl-N-acetyl 2-aminobenzothiazole amides: drug-like and non-xanthine based A2B adenosine receptor antagonists.
Cheung AW, Brinkman J, Firooznia F, Flohr A, Grimsby J, Gubler ML, Guertin K, Hamid R, Marcopulos N, Norcross RD, Qi L, Ramsey G, Tan J, Wen Y, Sarabu R.. 4-Substituted-7-N-alkyl-N-acetyl 2-aminobenzothiazole amides: drug-like and non-xanthine based A2B adenosine receptor antagonists.. Bioorg Med Chem Lett. 2010 Jul 15;20(14):4140-6. Epub 2010 May 20.. PMID:20541935
AC-260584, an orally bioavailable M(1) muscarinic receptor allosteric agonist, improves cognitive performance in an animal model.
Bradley SR, Lameh J, Ohrmund L, Son T, Bajpai A, Nguyen D, Friberg M, Burstein ES, Spalding TA, Ott TR, Schiffer HH, Tabatabaei A, McFarland K, Davis RE, Bonhaus DW.. AC-260584, an orally bioavailable M(1) muscarinic receptor allosteric agonist, improves cognitive performance in an animal model.. Neuropharmacology. 2010 Feb;58(2):365-73. Epub 2009 Oct 14.. PMID:19835892
Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists.
Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.. Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists.. Bioorg Med Chem Lett. 2010 Feb 1;20(3):1237-40. Epub 2009 Dec 4.. PMID:20042333
The first synthetic agonists of FFA2: Discovery and SAR of phenylacetamides as allosteric modulators.
Wang Y, Jiao X, Kayser F, Liu J, Wang Z, Wanska M, Greenberg J, Weiszmann J, Ge H, Tian H, Wong S, Schwandner R, Lee T, Li Y.. The first synthetic agonists of FFA2: Discovery and SAR of phenylacetamides as allosteric modulators.. Bioorg Med Chem Lett. 2010 Jan 15;20(2):493-8. Epub 2009 Nov 26.. PMID:20005104
Evaluation of nonradioactive cell-free cAMP assays for measuring in vitro phosphodiesterase activity.
Eapen MS, Sodhi R, Balakrishnan G, Dastidar S, Ray A, Vijayakrishnan L.. Evaluation of nonradioactive cell-free cAMP assays for measuring in vitro phosphodiesterase activity.. Pharmacology. 2010;85(5):280-5. Epub 2010 Apr 24.. PMID:20424496
Sulfonylureas uncouple glucose-dependence for GPR40-mediated enhancement of insulin secretion from INS-1E cells.
Yang M, Chisholm JW, Soelaiman S, Shryock JC.. Sulfonylureas uncouple glucose-dependence for GPR40-mediated enhancement of insulin secretion from INS-1E cells.. Mol Cell Endocrinol. 2010 Feb 5;315(1-2):308-13. Epub 2009 Oct 6.. PMID:19815053
Genetic interventions in mammalian cells; applications and uses in high-throughput screening and drug discovery.
Hampton SL, Kinnaird AI.. Genetic interventions in mammalian cells; applications and uses in high-throughput screening and drug discovery.. Cell Biol Toxicol. 2010 Feb;26(1):43-55. Epub 2009 Nov 11.. PMID:19904619
Chemical validation of phosphodiesterase C as a chemotherapeutic target in Trypanosoma cruzi, the etiological agent of Chagas' disease.
King-Keller S, Li M, Smith A, Zheng S, Kaur G, Yang X, Wang B, Docampo R.. Chemical validation of phosphodiesterase C as a chemotherapeutic target in Trypanosoma cruzi, the etiological agent of Chagas' disease.. Antimicrob Agents Chemother. 2010 Sep;54(9):3738-45. Epub 2010 Jul 12.. PMID:20625148
Distinct metabolism of cyclic adenosine monophosphate in regulatory and helper CD4+ T cells.
Bazhin AV, Kahnert S, Kimpfler S, Schadendorf D, Umansky V.. Distinct metabolism of cyclic adenosine monophosphate in regulatory and helper CD4+ T cells.. Mol Immunol. 2010 Jan;47(4):678-84. Epub 2009 Nov 24.. PMID:19939455

Displaying results 281-300 (of 418)

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Characterizing cannabinoid CB2 receptor ligands using DiscoverX PathHunter beta-arrestin assay.
McGuinness D, Malikzay A, Visconti R, Lin K, Bayne M, Monsma F, Lunn CA. Characterizing cannabinoid CB2 receptor ligands using DiscoveRx PathHunter beta-arrestin assay. J Biomol Screen. 2009 Jan;14(1):49-58. PMID:19171920
Pharmacological characterization of receptor redistribution and beta-arrestin recruitment assays for the cannabinoid receptor 1.
van der Lee MM, Blomenröhr M, van der Doelen AA, Wat JW, Smits N, Hanson BJ, van Koppen CJ, Zaman GJ. Pharmacological characterization of receptor redistribution and beta-arrestin recruitment assays for the cannabinoid receptor 1. J Biomol Screen 14(7):811-23. PMID:19520790
Using ligand-induced conformational change to screen for compounds targeting G-protein-coupled receptors.
O'Dowd BF, Alijaniaram M, Ji X, Nguyen T, Eglen RM, George SR.. Using ligand-induced conformational change to screen for compounds targeting G-protein-coupled receptors.. J Biomol Screen. 2007 Mar;12(2):175-85. Epub 2007 Feb 8.. PMID:17289935
GATA4 expression is primarily regulated via a miR-26b-dependent post-transcriptional mechanism during cardiac hypertrophy.
Han M, Yang Z, Sayed D, He M, Gao S, Lin L, Yoon S, Abdellatif M.. GATA4 expression is primarily regulated via a miR-26b-dependent post-transcriptional mechanism during cardiac hypertrophy.. Cardiovasc Res, Mar 2012; 93: 645 - 654.. PMID:22219180
Lipid G protein-coupled receptor ligand identification using beta-arrestin PathHunter assay.
Yin H, Chu A, Li W, Wang B, Shelton F, Otero F, Nguyen DG, Caldwell JS and Chen YA. Lipid G protein-coupled receptor ligand identification using beta-arrestin PathHunter assay. J Biol Chem 284(18):12328-38. PMID:19286662
A homogeneous enzyme fragment complementation-based beta-arrestin translocation assay for high-throughput screening of G-protein-coupled receptors.
Zhao X, Jones A, Olson KR, Peng K, Wehrman T, Park A, Mallari R, Nebalasca D, Young SW and Xiao SH. A homogeneous enzyme fragment complementation-based beta-arrestin translocation assay for high-throughput screening of G-protein-coupled receptors. J Biomol Screen 13(8):737-47. PMID:18660457
C5a-stimulated recruitment of beta-arrestin2 to the nonsignaling 7-transmembrane decoy receptor C5L2.
Van Lith LH, Oosterom J, Van Elsas A, Zaman GJ. C5a-stimulated recruitment of beta-arrestin2 to the nonsignaling 7-transmembrane decoy receptor C5L2.. J Biomol Screen. 2009 Oct;14(9):1067-75. Epub 2009 Jul 29.. PMID:19641221

Displaying results 181-187 (of 187)

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Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays
Olivier A. Pierrat, Manjuan Liu, Gavin W. Collie, Kartika Shetty, Matthew J. Rodrigues, Yann-Vaï Le Bihan, Emma A. Gunnell, P. Craig McAndrew, Mark Stubbs, Martin G. Rowlands, Norhakim Yahya, Erald Shehu, Rachel Talbot, Lisa Pickard, Benjamin R. Bellenie, Kwai-Ming J. Cheung, Ludovic Drouin, Paolo Innocenti, Hannah Woodward, Owen A. Davis, Matthew G. Lloyd, Ana Varela, Rosemary Huckvale, Fabio Broccatelli, …Rob L. M. van Montfort
C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays
Yann-Vaï Le Bihana, Rachel M.Lanigana, et al. Eur J of Med. Chem. 2019 Sept 1 (177): 316-337. doi.org/10.1016/j.ejmech.2019.05.041
A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3)
Kaniskan HÜ1, Szewczyk MM, Yu Z, Eram MS, Yang X, Schmidt K, Luo X, Dai M, He F, Zang I, Lin Y,Kennedy S, Li F, Dobrovetsky E, Dong A, Smil D, Min SJ, Landon M, Lin-Jones J, Huang XP, Roth BL,Schapira M, Atadja P, Barsyte-Lovejoy D, Arrowsmith CH, Brown PJ, Zhao K, Jin J, Vedadi M. A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3). Angew Chem Int Ed Engl. 2015 Apr 20;54(17):5166-70. doi: 10.1002/anie.201412154. Epub 2015 Feb 27. PMID:25728001
Cell-based protein stabilization assays for the detection of interactions between small-molecule inhibitors and BRD4.
Schulze J, Moosmayer D, Weiske J, Fernández-Montalván A, Herbst C, Jung M, Haendler B, Bader B. Cell-based protein stabilization assays for the detection of interactions between small-molecule inhibitors and BRD4. J Biomol Screen. 2015 Feb;20(2):180-9. doi: 10.1177/1087057114552398. Epub 2014 Sep 29. PMID:25266565

Pathway to the clinic: inhibition of P38 MAP kinase. A review of ten chemotypes selected for development.
Goldstein DM, Gabriel T.. Pathway to the clinic: inhibition of P38 MAP kinase. A review of ten chemotypes selected for development.. Curr Top Med Chem. 2005;5(10):1017-29.. PMID:16178744

Displaying results 21-21 (of 21)

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Discovery of Benzimidazole Oxazolidinediones as Novel and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists
Christine Yang, Jaume Balsells, Hong D. Chu, Jason M. Cox, Alejandro Crespo, Xiuying Ma, Lisa Contino, Patricia Brown, Sheng Gao, Beata Zamlynny, Judyann Wiltsie, Joseph Clemas, JeanMarie Lisnock, Jack Gibson, Gaochao Zhou, Margarita Garcia-Calvo, Thomas J. Bateman, Vincent Tong, Ling Xu, Martin Crook, Peter Sinclair, Hong C. Shen. Discovery of Benzimidazole Oxazolidinediones as Novel and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists. ACS Med. Chem. Lett., 2015, 6 (4), pp 461–465. 10.1021/acsmedchemlett.5b00010
Discovery of a novel isoxazoline derivative of prednisolone endowed with a robust anti-inflammatory profile and suitable for topical pulmonary administration.
Ghidini E, Capelli AM, Carnini C, Cenacchi V, Marchini G, Virdis A, Italia A, Facchinetti F. Discovery of a novel isoxazoline derivative of prednisolone endowed with a robust anti-inflammatory profile and suitable for topical pulmonary administration. Steroids. 2015 Mar;95:88-95. doi: 10.1016/j.steroids.2014.12.016. Epub 2014 Dec 31. PMID:25556984
The translational efficacy of a nonsteroidal progesterone receptor antagonist, 4-[3-cyclopropyl-1-(mesylmethyl)-5-methyl-1H-pyrazol-4-yl]oxy,-2,6-dimethylbenzonitrile (PF-02413873), on endometrial growth in macaque and human.
Howe DC, Mount NM, Bess K, Brown A, Bungay P, Gibson KR, Hawcock T, Richard J, Jones G, Walley R, McLeod A, Apfeldorfer C, Ramsey S, Tweedy S, Pullen N.. The translational efficacy of a nonsteroidal progesterone receptor antagonist, 4-[3-cyclopropyl-1-(mesylmethyl)-5-methyl-1H-pyrazol-4-yl]oxy,-2,6-dimethylbenzonitrile (PF-02413873), on endometrial growth in macaque and human.. J Pharmacol Exp Ther. 2011 Nov;339(2):642-53. Epub 2011 Aug 17.. PMID:21849626
Acute inhibition of 11beta-hydroxysteroid dehydrogenase type-1 improves memory in rodent models of cognition.
Mohler EG, Browman KE, Roderwald VA, Cronin EA, Markosyan S, Scott Bitner R, Strakhova MI, Drescher KU, Hornberger W, Rohde JJ, Brune ME, Jacobson PB, Rueter LE.. Acute inhibition of 11beta-hydroxysteroid dehydrogenase type-1 improves memory in rodent models of cognition.. J Neurosci. 2011 Apr 6;31(14):5406-13.. PMID:21471376
Resveratrol modulates the expression of PTGS2 and cellular proliferation in the normal rat endometrium in an AKT-dependent manner.
Singh M, Parent S, Leblanc V, Asselin E.. Resveratrol modulates the expression of PTGS2 and cellular proliferation in the normal rat endometrium in an AKT-dependent manner.. Biol Reprod. 2011 May;84(5):1045-52. Epub 2011 Jan 19.. PMID:21248286
Cleavage of zearalenone by Trichosporon mycotoxinivorans to a novel nonestrogenic metabolite.
Vekiru E, Hametner C, Mitterbauer R, Rechthaler J, Adam G, Schatzmayr G, Krska R, Schuhmacher R.. Cleavage of zearalenone by Trichosporon mycotoxinivorans to a novel nonestrogenic metabolite.. Appl Environ Microbiol. 2010 Apr;76(7):2353-9. Epub 2010 Jan 29.. PMID:20118365
Expression of Human Nuclear Receptors in Plants for the Discovery of Plant-Derived Ligands.
Doukhanina EV, Apuya NR, Yoo HD, Wu CY, Davidow P, Krueger S, Flavell RB, Hamilton R, Bobzin SC.. Expression of Human Nuclear Receptors in Plants for the Discovery of Plant-Derived Ligands.. J Biomol Screen. 2007 Apr;12(3):385-95.. PMID:17438068

Active participation of cellular chaperone Hsp90 in regulating the function of rotavirus nonstructural protein 3 (NSP3).
Dutta D, Chattopadhyay S, Bagchi P, Halder UC, Nandi S, Mukherjee A, Kobayashi N, Taniguchi K, Chawla-Sarkar M.. Active participation of cellular chaperone Hsp90 in regulating the function of rotavirus nonstructural protein 3 (NSP3).. J Biol Chem. 2011 Jun 3;286(22):20065-77. Epub 2011 Apr 13.. PMID:21489987
Beta-Galactosidase enzyme fragment complementation for the measurement of Wnt/beta-catenin signaling
Verkaar F, van der Stelt M, Blankesteijn WM, van der Doelen AA, Zaman GJ. Beta-Galactosidase enzyme fragment complementation for the measurement of Wnt/beta-catenin signaling. FASEB J. 2010 Apr;24(4):1205-17. PMID:19940259

Inhibition of Bitter Taste from Oral Tenofovir Alafenamide.
Schwiebert E, Wang Y, Xi R, Choma K, Streiff J, Flammer LJ, Rivers N, Ozdener MH, Margolskee RF, Christensen CM, Rawson NE, Jiang P, Breslin PAS. Inhibition of Bitter Taste from Oral Tenofovir Alafenamide. Mol Pharmacol. 2021 May;99(5):319-327.
Small-molecule allosteric activators of PDE4 long form cyclic AMP phosphodiesterases.
Omar F, Findlay JE, Carfray G, Allcock RW, Jiang Z, Moore C, Muir AL, Lannoy M, Fertig BA, Mai D, Day JP, Bolger G, Baillie GS, Schwiebert E, Klussmann E, Pyne NJ, Ong ACM, Bowers K, Adam JM, Adams DR, Houslay MD, Henderson DJP. Small-molecule allosteric activators of PDE4 long form cyclic AMP phosphodiesterases. Proc Natl Acad Sci U S A. 2019 Jul 2;116(27):13320-13329.
Use of a rapid human primary cell-based disease screening model to compare next generation products to combustible cigarettes.
Simms L, Mason E, Berg EL, Yu F, Rudd K, Czekala L, Trelles Sticken E, Brinster O, Wieczorek R, Stevenson M, Walele T.
Use of a rapid human primary cell-based disease screening model to compare next generation products to combustible cigarettes.
Current Research in Toxicology. 2021;2:309-321.
Expanding the drug discovery space with predicted metabolite–target interactions.
Nuzzo A, Saha S, Berg E, Jayawickreme C, Tocker J, Brown JR. Expanding the drug discovery space with predicted metabolite–target interactions. Commun Biol. 2021;4:288.
Investigating Molecular Mechanisms of Immunotoxicity and the Utility of ToxCast for Immunotoxicity Screening of Chemicals Added to Food.
Naidenko OV, Andrews DQ, Temkin AM, Stoiber T, Uche UI, Evans S, Perrone-Gray S. Investigating Molecular Mechanisms of Immunotoxicity and the Utility of ToxCast for Immunotoxicity Screening of Chemicals Added to Food. Int J Environ Res Public Health. 2021;18(7):3332.
ILB® resolves inflammatory scarring and promotes functional tissue repair.
Hill LJ, Botfield HF, Begum G, Qureshi O, Vigneswara V, Masood I, Barnes NM, Bruce L, Logan A. ILB® resolves inflammatory scarring and promotes functional tissue repair. NPJ Regen Med. 2021;6:3.
The future of phenotypic drug discovery.
Berg EL. The future of phenotypic drug discovery. Cell Chemical Biology. 2021;28(3):424-430.
Chapter 2: Development and Validation of Disease Assays for Phenotypic Screening.
Berg EL, Denker SP, O’Mahony A. Chapter 2: Development and Validation of Disease Assays for Phenotypic Screening. In: Phenotypic Drug Discovery.; 2020:20-36.
Tapinarof Is a Natural AhR Agonist that Resolves Skin Inflammation in Mice and Humans.
Smith SH, Jayawickreme C, Rickard DJ, Nicodeme E, Bui T, Simmons C, Coquery CM, Neil J, Pryor WM, Mayhew D, Rajpal DK, Creech K, Furst S, Lee J, Wu D, Rastinejad F, Willson TM, Viviani F, Morris DC, Moore JT, Cote-Sierra J. Tapinarof Is a Natural AhR Agonist that Resolves Skin Inflammation in Mice and Humans. J Invest Dermatol. 2017;137(10):2110-2119.
A Next-Generation Risk Assessment Case Study for Coumarin in Cosmetic Products.
Baltazar MT, Cable S, Carmichael PL, Cubberley R, Cull T, Delagrange M, Dent MP, Hatherell S, Houghton J, Kukic P, Li H, Lee M-Y, Malcomber S, Middleton AM, Moxon TE, Nathanail AV, Nicol B, Pendlington R, Reynolds G, Reynolds J, White A, Westmoreland C. A Next-Generation Risk Assessment Case Study for Coumarin in Cosmetic Products. Toxicol Sci. 2020;176(1):236-252.
Btk inhibition treats TLR7/IFN driven murine lupus.
Bender AT, Pereira A, Fu K, Samy E, Wu Y, Liu-Bujalski L, Caldwell R, Chen Y-Y, Tian H, Morandi F, Head J, Koehler U, Genest M, Okitsu SL, Xu D, Grenningloh R. Btk inhibition treats TLR7/IFN driven murine lupus. Clinical Immunology. 2016;164:65-77.
Development of a Topical Treatment for Psoriasis Targeting RORγ: From Bench to Skin.
Smith SH, Peredo CE, Takeda Y, Bui T, Neil J, Rickard D, Millerman E, Therrien J-P, Nicodeme E, Brusq J-M, Birault V, Viviani F, Hofland H, Jetten AM, Cote-Sierra J. Development of a Topical Treatment for Psoriasis Targeting RORγ: From Bench to Skin. PLOS ONE. 2016;11(2):e0147979.
Targeting JAK2 reduces GVHD and xenograft rejection through regulation of T cell differentiation.
Betts BC, Bastian D, Iamsawat S, Nguyen H, Heinrichs JL, Wu Y, Daenthanasanmak A, Veerapathran A, O’Mahony A, Walton K, Reff J, Horna P, Sagatys EM, Lee MC, Singer J, Chang Y-J, Liu C, Pidala J, Anasetti C, Yu X-Z. Targeting JAK2 reduces GVHD and xenograft rejection through regulation of T cell differentiation. PNAS. 2018;115(7):1582-1587.
The activities of drug inactive ingredients on biological targets.
Pottel J, Armstrong D, Zou L, Fekete A, Huang X-P, Torosyan H, Bednarczyk D, Whitebread S, Bhhatarai B, Liang G, Jin H, Ghaemi SN, Slocum S, Lukacs KV, Irwin JJ, Berg EL, Giacomini KM, Roth BL, Shoichet BK, Urban L. The activities of drug inactive ingredients on biological targets. Science. 2020;369(6502):403-413.
Application of a phenotypic drug discovery strategy to identify biological and chemical starting points for inhibition of TSLP production in lung epithelial cells.
Orellana A, García-González V, López R, Pascual-Guiral S, Lozoya E, Díaz J, Casals D, Barrena A, Paris S, Andrés M, Segarra V, Vilella D, Malhotra R, Eastwood P, Planagumà A, Miralpeix M, Nueda A. Application of a phenotypic drug discovery strategy to identify biological and chemical starting points for inhibition of TSLP production in lung epithelial cells. PLOS ONE. 2018;13(1):e0189247.
Pharmacological Profile of the Novel Antiepileptic Drug Candidate Padsevonil: Interactions with Synaptic Vesicle 2 Proteins and the GABAA Receptor.
Wood M, Daniels V, Provins L, Wolff C, Kaminski RM, Gillard M. Pharmacological Profile of the Novel Antiepileptic Drug Candidate Padsevonil: Interactions with Synaptic Vesicle 2 Proteins and the GABAA Receptor. J Pharmacol Exp Ther. 2020;372(1):1-10.
Human Cell-Based in vitro Phenotypic Profiling for Drug Safety-Related Attrition.
Berg EL. Human Cell-Based in vitro Phenotypic Profiling for Drug Safety-Related Attrition. Front Big Data. 2019;2. doi:10.3389/fdata.2019.00047.
Comparative phenotypic profiling of the JAK2 inhibitors ruxolitinib, fedratinib, momelotinib, and pacritinib reveals distinct mechanistic signatures.
Singer JW, Al-Fayoumi S, Taylor J, Velichko S, O’Mahony A. Comparative phenotypic profiling of the JAK2 inhibitors ruxolitinib, fedratinib, momelotinib, and pacritinib reveals distinct mechanistic signatures. PLOS ONE. 2019;14(9):e0222944.
Efficacy and Pharmacodynamic Modeling of the BTK Inhibitor Evobrutinib in Autoimmune Disease Models.
Haselmayer P, Camps M, Liu-Bujalski L, Nguyen N, Morandi F, Head J, O’Mahony A, Zimmerli SC, Bruns L, Bender AT, Schroeder P, Grenningloh R. Efficacy and Pharmacodynamic Modeling of the BTK Inhibitor Evobrutinib in Autoimmune Disease Models. The Journal of Immunology. 2019 Apr 15; ji1800583.
Advancing nonclinical innovation and safety in pharmaceutical testing.
Baker EJ, Beck NA, Berg EL, Clayton-Jeter HD, Chandrasekera PC, Curley JL, Donzanti BA, Ewart LC, Gunther JM, Kenna JG, LeCluyse EL, Liebman MN, Pugh CL, Watkins PB, Sullivan KM. Advancing nonclinical innovation and safety in pharmaceutical testing. Drug Discovery Today. 2019;24(2):624–628.
Rational discovery of dual-action multi-target kinase inhibitor for precision anti-cancer therapy using structural systems pharmacology.
Xie L, Lim H, He D, Qiu Y, Krawczuk P, Sun X. Rational discovery of dual-action multi-target kinase inhibitor for precision anti-cancer therapy using structural systems pharmacology. bioRxiv. 2018 Nov 7 [accessed 2019 Mar 21]:465054.
Predictive gene signatures determine tumor sensitivity to MDM2 inhibition.
Ishizawa J, Nakamaru K, Seki T, Tazaki K, Kojima K, Chachad D, Zhao R, Heese L, Ma W, Ma MCJ, DiNardo C, Pierce S, Patel KP, Tse A, Davis RE, Rao A, Andreeff M. Predictive gene signatures determine tumor sensitivity to MDM2 inhibition. Cancer Research. 2018;78(10):2721–2731.
Small-molecule activators of protein phosphatase 2A for the treatment of castration-resistant prostate cancer.
McClinch K, Avelar RA, Callejas D, Izadmehr S, Wiredja D, Perl A, Sangodkar J, Kastrinsky DB, Schlatzer D, Cooper M, Kiselar J, Stachnik A, Yao S, Hoon D, McQuaid D, Zaware N, Gong Y, Brautigan DL, Plymate SR, Sprenger CCT, Oh WK, Levine AC, Kirschenbaum A, Sfakianos JP, Sears R, DiFeo A, Ioannou Y, Ohlmeyer M, Narla G, Galsky MD. Small-molecule activators of protein phosphatase 2A for the treatment of castration-resistant prostate cancer. Cancer Research. 2018;78(8):2065–2080.
Assessing bioactivity-exposure profiles of fruit and vegetable extracts in the BioMAP profiling system.
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Mechanism of action of the third generation benzopyrans and evaluation of their broad anti-cancer activity in vitro and in vivo.
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Efficacy of the highly selective focal adhesion kinase inhibitor BI 853520 in adenocarcinoma xenograft models is linked to a mesenchymal tumor phenotype.
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Mebendazole stimulates CD14+ myeloid cells to enhance T-cell activation and tumour cell killing.
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Discriminating phenotypic signatures identified for tocilizumab, adalimumab, and tofacitinib monotherapy and their combinations with methotrexate.
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Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation.
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Anti-tumor efficacy of a novel CLK inhibitor via targeting RNA splicing and MYC-dependent vulnerability.
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Mechanisms of skin toxicity associated with metabotropic glutamate receptor 5 negative allosteric modulators.
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Phenotypic chemical biology for predicting safety and efficacy.
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Empirical drug discovery: a view from the proteome.
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Identification of a chemical probe for family VIII bromodomains through optimization of a fragment hit.
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CBP30, a selective CBP/p300 bromodomain inhibitor, suppresses human Th17 responses.
Hammitzsch A, Tallant C, Fedorov O, O’Mahony A, Brennan PE, Hay DA, Martinez FO, Al-Mossawi MH, de Wit J, Vecellio M, Wells C, Wordsworth P, Müller S, Knapp S, Bowness P. CBP30, a selective CBP/p300 bromodomain inhibitor, suppresses human Th17 responses. PNAS. 2015;112(34):10768–10773.
DMF, but not other fumarates, inhibits NF-κB activity in vitro in an Nrf2-independent manner.
Gillard GO, Collette B, Anderson J, Chao J, Scannevin RH, Huss DJ, Fontenot JD. DMF, but not other fumarates, inhibits NF-κB activity in vitro in an Nrf2-independent manner. Journal of Neuroimmunology. 2015;283:74–85.
Elucidating mechanisms of toxicity using phenotypic data from primary human cell systems—a chemical biology approach for thrombosis-related side effects.
Berg EL, Polokoff MA, O’Mahony A, Nguyen D, Li X. Elucidating mechanisms of toxicity using phenotypic data from primary human cell systems—a chemical biology approach for thrombosis-related side effects. International Journal of Molecular Sciences. 2015;16(1):1008–1029.
Targeting interleukin-2-inducible T-cell kinase (ITK) and resting lymphocyte kinase (RLK) using a novel covalent inhibitor PRN694.
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Complex Primary Human Cell Systems for Drug Discovery. In: Human-based Systems for Translational Research.
Berg EL, O’Mahony A. Complex Primary Human Cell Systems for Drug Discovery. In: Human-based Systems for Translational Research. The Royal Society of Chemistry; 2014; p.88–109. Chapter 5; Edited by Robert Coleman.
Phenotypic screening of the ToxCast chemical library to classify toxic and therapeutic mechanisms.
Kleinstreuer NC, Yang J, Berg EL, Knudsen TB, Richard AM, Martin MT, Reif DM, Judson RS, Polokoff M, Dix DJ, Kavlock RJ, Houck KA. Phenotypic screening of the ToxCast chemical library to classify toxic and therapeutic mechanisms. Nature Biotechnology. 2014;32(6):583–591.
Characterization of novel PI3Kδ inhibitors as potential therapeutics for SLE and lupus nephritis in pre-clinical studies.
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Consideration of the cellular microenvironment: physiologically relevant co-culture systems in drug discovery.
Berg EL, Hsu Y-C, Lee JA. Consideration of the cellular microenvironment: physiologically relevant co-culture systems in drug discovery. Advanced Drug Delivery Reviews. 2014;69–70:190–204.
Dual kinase-bromodomain inhibitors for rationally designed polypharmacology.
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Building predictive models for mechanism-of-action classification from phenotypic assay data sets.
Berg EL, Yang J, Polokoff MA. Building predictive models for mechanism-of-action classification from phenotypic assay data sets. Journal of Biomolecular Screening. 2013;18(10):1260–1269.
Regulation of IL-17A production is distinct from IL-17F in a primary human cell co-culture model of T cell-mediated B cell activation.
Melton AC, Melrose J, Alajoki L, Privat S, Cho H, Brown N, Plavec AM, Nguyen D, Johnston ED, Yang J, Polokoff MA, Plavec I, Berg EL, O’Mahony A. Regulation of IL-17A production is distinct from IL-17F in a primary human cell co-culture model of T cell-mediated B cell activation. PLOS ONE. 2013;8(3):e58966.
A selective inhibitor reveals PI3Kγ dependence of T(H)17 cell differentiation.
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A novel framework for predicting in vivo toxicities from in vitro data using optimal methods for dense and sparse matrix reordering and logistic regression.
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Discovery of dual inhibitors of the immune cell PI3Ks p110δ and p110γ: a prototype for new anti-inflammatory drugs.
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Chemical target and pathway toxicity mechanisms defined in primary human cell systems.
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Profiling bioactivity of the ToxCast chemical library using BioMAP primary human cell systems.
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Characterization of compound mechanisms and secondary activities by BioMAP analysis.
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Biological complexity and drug discovery: a practical systems biology approach.
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Can cell systems biology rescue drug discovery?
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Rapid structure-activity and selectivity analysis of kinase inhibitors by BioMAP analysis in complex human primary cell-based models.
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An integrative biology approach for analysis of drug action in models of human vascular inflammation.
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Cross-site and cross-platform variability of automated patch clamp assessments of drug effects on human cardiac currents in recombinant cells.
Kramer J, Himmel HM, Lindqvist A, Stoelzle-Feix S, Chaudhary KW, Li D, Bohme GA, Bridgland-Taylor M, Hebeisen S, Fan J, Renganathan M, Imredy J, Humphries E, Brinkwirth N, Strassmaier T, Ohtsuki A, Danker T, Vanoye C, Polonchuk L, Fermini B, Beck Pierson J, Gintant G. Cross-site and cross-platform variability of automated patch clamp assessments of drug effects on human cardiac currents in recombinant cells. Scientific Reports. 2020 Mar 27;10(1):5627
A systematic strategy for estimating hERG block potency and its implications in a new cardiac safety paradigm.
Ridder BJ, Leishman DJ, Bridgland-Taylor M, Samieegohar M, Han X, Wu WW, Randolph A, Tran P, Sheng J, Danker T, Lindqvist A, Konrad D, Hebeisen S, Polonchuk L, Gissinger E, Renganathan M, Koci B, Wei H, Fan J, Levesque P, Kwagh J, Imredy J, Zhai J, Rogers M, Humphries E, Kirby R, Stoelzle-Feix S, Brinkwirth N, Rotordam MG, Becker N, Friis S, Rapedius M, Goetze TA, Strassmaier T, Okeyo G, Kramer J, Kuryshev Y, Wu C, Himmel H, Mirams GR, Strauss DG, Bardenet R, Li Z. A systematic strategy for estimating hERG block potency and its implications in a new cardiac safety paradigm. Toxicol Appl Pharmacol. May 1;394. 2020

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