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Informing the Selection of Screening Hit Series with in Silico Absorption, Distribution, Metabolism, Excretion, and Toxicity Profiles.
Sanders JM, Beshore DC, Culberson JC, Fells JI, Imbriglio JE, Gunaydin H, Haidle AM, Labroli M, Mattioni BE, Sciammetta N, Shipe WD, Sheridan RP, Suen LM, Verras A, Walji A, Joshi EM, Bueters T. Sanders JM, et al. Among authors: verras a. J Med Chem. 2017 Aug 24;60(16):6771-6780. doi: 10.1021/acs.jmedchem.6b01577. Epub 2017 May 5. J Med Chem. 2017. PMID: 28418656 Review.
Development of indazole mineralocorticoid receptor antagonists and investigation into their selective late-stage functionalization.
Liu K, Kurukulasuriya R, Dykstra K, DiMichelle L, Liu J, Vachal P, Ogawa A, DeVita RJ, Shen DM, Tan Q, Chen Y, Gauthier D, Verras A, Crespo A, Zamlynny B, Madwed J, Hoek M, Bateman T, Yang YF, Houk KN, Krska S, Cernak T. Liu K, et al. Among authors: verras a. Bioorg Med Chem Lett. 2019 Jul 15;29(14):1854-1858. doi: 10.1016/j.bmcl.2019.04.024. Epub 2019 Apr 15. Bioorg Med Chem Lett. 2019. PMID: 31104995
Accelerating the discovery of DGAT1 inhibitors through the application of parallel medicinal chemistry (PMC).
Yu Y, Wu Z, Shi ZC, He S, Lai Z, Cernak TA, Vachal P, Liu M, Liu J, Hong Q, Jian T, Guiadeen D, Krikorian A, Sperbeck DM, Verras A, Sonatore LM, Murphy BA, Wiltsie J, Chung CC, Gorski JN, Liu J, Xiao J, Wolff M, Tong SX, Madeira M, Karanam BV, Shen DM, Balkovec JM, De Vita RJ, Pinto S, Nargund RP. Yu Y, et al. Among authors: verras a. Bioorg Med Chem Lett. 2019 Jun 1;29(11):1380-1385. doi: 10.1016/j.bmcl.2019.03.039. Epub 2019 Mar 27. Bioorg Med Chem Lett. 2019. PMID: 30952592
Discovery and Pharmacology of a Novel Class of Diacylglycerol Acyltransferase 2 Inhibitors.
Imbriglio JE, Shen DM, Liang R, Marby K, You M, Youm HW, Feng Z, London C, Xiong Y, Tata J, Verras A, Garcia-Calvo M, Song X, Addona GH, McLaren DG, He T, Murphy B, Metzger DE, Salituro G, Deckman D, Chen Q, Jin X, Stout SJ, Wang SP, Wilsie L, Palyha O, Han S, Hubbard BK, Previs SF, Pinto S, Taggart A. Imbriglio JE, et al. Among authors: verras a. J Med Chem. 2015 Dec 10;58(23):9345-53. doi: 10.1021/acs.jmedchem.5b01345. Epub 2015 Nov 20. J Med Chem. 2015. PMID: 26561979
Is Multitask Deep Learning Practical for Pharma?
Ramsundar B, Liu B, Wu Z, Verras A, Tudor M, Sheridan RP, Pande V. Ramsundar B, et al. Among authors: verras a. J Chem Inf Model. 2017 Aug 28;57(8):2068-2076. doi: 10.1021/acs.jcim.7b00146. Epub 2017 Aug 1. J Chem Inf Model. 2017. PMID: 28692267
Benzimidazole-based DGAT1 inhibitors with a [3.1.0] bicyclohexane carboxylic acid moiety.
He S, Lai Z, Hong Q, Shang J, Reibarkh M, Kuethe JT, Liu J, Guiadeen D, Krikorian AD, Cernak TA, Dykstra KD, Sperbeck DM, Wu Z, Yu Y, Yang GX, Jian T, Verras A, Sonatore LM, Wiltsie J, Chung CC, Murphy BA, Gorski JN, Liu J, Xiao J, Wolff M, Tong SX, Madeira M, Karanam BV, Shen DM, Balkovec JM, Pinto S, Nargund RP, DeVita RJ. He S, et al. Among authors: verras a. Bioorg Med Chem Lett. 2019 May 15;29(10):1182-1186. doi: 10.1016/j.bmcl.2019.03.025. Epub 2019 Mar 21. Bioorg Med Chem Lett. 2019. PMID: 30926247
38 results