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Highly predictive and interpretable models for PAMPA permeability.
Sun H, Nguyen K, Kerns E, Yan Z, Yu KR, Shah P, Jadhav A, Xu X. Sun H, et al. Among authors: xu x. Bioorg Med Chem. 2017 Feb 1;25(3):1266-1276. doi: 10.1016/j.bmc.2016.12.049. Epub 2016 Dec 31. Bioorg Med Chem. 2017. PMID: 28082071 Free PMC article.
Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity.
Yang SM, Martinez NJ, Yasgar A, Danchik C, Johansson C, Wang Y, Baljinnyam B, Wang AQ, Xu X, Shah P, Cheff D, Wang XS, Roth J, Lal-Nag M, Dunford JE, Oppermann U, Vasiliou V, Simeonov A, Jadhav A, Maloney DJ. Yang SM, et al. Among authors: xu x. J Med Chem. 2018 Jun 14;61(11):4883-4903. doi: 10.1021/acs.jmedchem.8b00270. Epub 2018 May 31. J Med Chem. 2018. PMID: 29767973 Free PMC article.
Discovery and lead identification of quinazoline-based BRD4 inhibitors.
Yang SM, Urban DJ, Yoshioka M, Strovel JW, Fletcher S, Wang AQ, Xu X, Shah P, Hu X, Hall MD, Jadhav A, Maloney DJ. Yang SM, et al. Among authors: xu x. Bioorg Med Chem Lett. 2018 Nov 15;28(21):3483-3488. doi: 10.1016/j.bmcl.2018.08.039. Epub 2018 Aug 31. Bioorg Med Chem Lett. 2018. PMID: 30268702 Free PMC article.
Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
Horton JR, Woodcock CB, Chen Q, Liu X, Zhang X, Shanks J, Rai G, Mott BT, Jansen DJ, Kales SC, Henderson MJ, Cyr M, Pohida K, Hu X, Shah P, Xu X, Jadhav A, Maloney DJ, Hall MD, Simeonov A, Fu H, Vertino PM, Cheng X. Horton JR, et al. Among authors: xu x. J Med Chem. 2018 Dec 13;61(23):10588-10601. doi: 10.1021/acs.jmedchem.8b01219. Epub 2018 Nov 15. J Med Chem. 2018. PMID: 30392349 Free PMC article.
Application of niclosamide and analogs as small molecule inhibitors of Zika virus and SARS-CoV-2 infection.
Shamim K, Xu M, Hu X, Lee EM, Lu X, Huang R, Shah P, Xu X, Chen CZ, Shen M, Guo H, Chen L, Itkin Z, Eastman RT, Shinn P, Klumpp-Thomas C, Michael S, Simeonov A, Lo DC, Ming GL, Song H, Tang H, Zheng W, Huang W. Shamim K, et al. Among authors: xu m, xu x. Bioorg Med Chem Lett. 2021 May 15;40:127906. doi: 10.1016/j.bmcl.2021.127906. Epub 2021 Mar 6. Bioorg Med Chem Lett. 2021. PMID: 33689873 Free PMC article.
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