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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: fells ji. 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.
Discovery of fused tricyclic core containing HCV NS5A inhibitors with pan-genotype activity.
Yu W, Coburn CA, Yang DY, Meinke PT, Wong M, Rosenblum SB, Chen KX, Njoroge GF, Chen L, Dwyer MP, Jiang Y, Nair AG, Selyutin O, Tong L, Zeng Q, Zhong B, Ji T, Hu B, Agrawal S, Xia E, Zhai Y, Liu R, Kong R, Ingravallo P, Asante-Appiah E, Nomeir A, Fells J, Kozlowski JA. Yu W, et al. Among authors: ji t, fells j. Bioorg Med Chem Lett. 2016 Jul 1;26(13):3158-3162. doi: 10.1016/j.bmcl.2016.04.084. Epub 2016 Apr 30. Bioorg Med Chem Lett. 2016. PMID: 27180013
Identification of non-lipid LPA3 antagonists by virtual screening.
Fells JI, Tsukahara R, Fujiwara Y, Liu J, Perygin DH, Osborne DA, Tigyi G, Parrill AL. Fells JI, et al. Bioorg Med Chem. 2008 Jun 1;16(11):6207-17. doi: 10.1016/j.bmc.2008.04.035. Epub 2008 Apr 18. Bioorg Med Chem. 2008. PMID: 18467108 Free PMC article.
Discovery of potent macrocyclic HCV NS5A inhibitors.
Yu W, Vibulbhan B, Rosenblum SB, Martin GS, Vellekoop AS, Holst CL, Coburn CA, Wong M, Selyutin O, Ji T, Zhong B, Hu B, Chen L, Dwyer MP, Jiang Y, Nair AG, Tong L, Zeng Q, Agrawal S, Carr D, Rokosz L, Liu R, Curry S, McMonagle P, Ingravallo P, Lahser F, Asante-Appiah E, Fells J, Kozlowski JA. Yu W, et al. Among authors: ji t, fells j. Bioorg Med Chem Lett. 2016 Aug 1;26(15):3793-9. doi: 10.1016/j.bmcl.2016.05.042. Epub 2016 May 17. Bioorg Med Chem Lett. 2016. PMID: 27282743
Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity.
Yu W, Liu J, Clausen D, Yu Y, Duffy JL, Wang M, Xu S, Deng L, Suzuki T, Chung CC, Myers RW, Klein DJ, Fells JI, Holloway MK, Wu J, Wu G, Howell BJ, Barnard RJO, Kozlowski J. Yu W, et al. Among authors: fells ji. J Med Chem. 2021 Apr 22;64(8):4709-4729. doi: 10.1021/acs.jmedchem.0c02150. Epub 2021 Apr 2. J Med Chem. 2021. PMID: 33797924
Structure-based drug design identifies novel LPA3 antagonists.
Fells JI, Tsukahara R, Liu J, Tigyi G, Parrill AL. Fells JI, et al. Bioorg Med Chem. 2009 Nov 1;17(21):7457-64. doi: 10.1016/j.bmc.2009.09.022. Epub 2009 Sep 18. Bioorg Med Chem. 2009. PMID: 19800804 Free PMC article.
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