Research ArticleArticle
Open Access
Development of Robust Quantitative Structure-Activity Relationship Models for CYP2C9, CYP2D6, and CYP3A4 Catalysis and Inhibition
Eric Gonzalez, Sankalp Jain, Pranav Shah, Nao Torimoto-Katori, Alexey Zakharov, Ðắc-Trung Nguyễn, Srilatha Sakamuru, Ruili Huang, Menghang Xia, R. Scott Obach, Cornelis E. C. A. Hop, Anton Simeonov and Xin Xu
Drug Metabolism and Disposition September 2021, 49 (9) 822-832; DOI: https://doi.org/10.1124/dmd.120.000320
Eric Gonzalez
Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland (E.G., S.J., P.S., N.T.-K., A.Z., D.-T.N., S.S., R.H., M.X. A.S., X.X.); Discovery Technology Laboratories, Sohyaku. Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, Yokohama-shi, Japan (N.T.-K.); Pfizer Inc. Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer, Groton, Connecticut (R.S.O.); and Genentech Inc. Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., San Francisco, California (C.E.C.A.H.)
Sankalp Jain
Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland (E.G., S.J., P.S., N.T.-K., A.Z., D.-T.N., S.S., R.H., M.X. A.S., X.X.); Discovery Technology Laboratories, Sohyaku. Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, Yokohama-shi, Japan (N.T.-K.); Pfizer Inc. Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer, Groton, Connecticut (R.S.O.); and Genentech Inc. Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., San Francisco, California (C.E.C.A.H.)
Pranav Shah
Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland (E.G., S.J., P.S., N.T.-K., A.Z., D.-T.N., S.S., R.H., M.X. A.S., X.X.); Discovery Technology Laboratories, Sohyaku. Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, Yokohama-shi, Japan (N.T.-K.); Pfizer Inc. Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer, Groton, Connecticut (R.S.O.); and Genentech Inc. Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., San Francisco, California (C.E.C.A.H.)
Nao Torimoto-Katori
Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland (E.G., S.J., P.S., N.T.-K., A.Z., D.-T.N., S.S., R.H., M.X. A.S., X.X.); Discovery Technology Laboratories, Sohyaku. Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, Yokohama-shi, Japan (N.T.-K.); Pfizer Inc. Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer, Groton, Connecticut (R.S.O.); and Genentech Inc. Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., San Francisco, California (C.E.C.A.H.)
Alexey Zakharov
Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland (E.G., S.J., P.S., N.T.-K., A.Z., D.-T.N., S.S., R.H., M.X. A.S., X.X.); Discovery Technology Laboratories, Sohyaku. Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, Yokohama-shi, Japan (N.T.-K.); Pfizer Inc. Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer, Groton, Connecticut (R.S.O.); and Genentech Inc. Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., San Francisco, California (C.E.C.A.H.)
Ðắc-Trung Nguyễn
Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland (E.G., S.J., P.S., N.T.-K., A.Z., D.-T.N., S.S., R.H., M.X. A.S., X.X.); Discovery Technology Laboratories, Sohyaku. Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, Yokohama-shi, Japan (N.T.-K.); Pfizer Inc. Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer, Groton, Connecticut (R.S.O.); and Genentech Inc. Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., San Francisco, California (C.E.C.A.H.)
Srilatha Sakamuru
Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland (E.G., S.J., P.S., N.T.-K., A.Z., D.-T.N., S.S., R.H., M.X. A.S., X.X.); Discovery Technology Laboratories, Sohyaku. Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, Yokohama-shi, Japan (N.T.-K.); Pfizer Inc. Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer, Groton, Connecticut (R.S.O.); and Genentech Inc. Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., San Francisco, California (C.E.C.A.H.)
Ruili Huang
Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland (E.G., S.J., P.S., N.T.-K., A.Z., D.-T.N., S.S., R.H., M.X. A.S., X.X.); Discovery Technology Laboratories, Sohyaku. Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, Yokohama-shi, Japan (N.T.-K.); Pfizer Inc. Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer, Groton, Connecticut (R.S.O.); and Genentech Inc. Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., San Francisco, California (C.E.C.A.H.)
Menghang Xia
Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland (E.G., S.J., P.S., N.T.-K., A.Z., D.-T.N., S.S., R.H., M.X. A.S., X.X.); Discovery Technology Laboratories, Sohyaku. Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, Yokohama-shi, Japan (N.T.-K.); Pfizer Inc. Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer, Groton, Connecticut (R.S.O.); and Genentech Inc. Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., San Francisco, California (C.E.C.A.H.)
R. Scott Obach
Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland (E.G., S.J., P.S., N.T.-K., A.Z., D.-T.N., S.S., R.H., M.X. A.S., X.X.); Discovery Technology Laboratories, Sohyaku. Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, Yokohama-shi, Japan (N.T.-K.); Pfizer Inc. Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer, Groton, Connecticut (R.S.O.); and Genentech Inc. Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., San Francisco, California (C.E.C.A.H.)
Cornelis E. C. A. Hop
Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland (E.G., S.J., P.S., N.T.-K., A.Z., D.-T.N., S.S., R.H., M.X. A.S., X.X.); Discovery Technology Laboratories, Sohyaku. Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, Yokohama-shi, Japan (N.T.-K.); Pfizer Inc. Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer, Groton, Connecticut (R.S.O.); and Genentech Inc. Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., San Francisco, California (C.E.C.A.H.)
Anton Simeonov
Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland (E.G., S.J., P.S., N.T.-K., A.Z., D.-T.N., S.S., R.H., M.X. A.S., X.X.); Discovery Technology Laboratories, Sohyaku. Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, Yokohama-shi, Japan (N.T.-K.); Pfizer Inc. Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer, Groton, Connecticut (R.S.O.); and Genentech Inc. Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., San Francisco, California (C.E.C.A.H.)
Xin Xu
Division of Preclinical Innovation, National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland (E.G., S.J., P.S., N.T.-K., A.Z., D.-T.N., S.S., R.H., M.X. A.S., X.X.); Discovery Technology Laboratories, Sohyaku. Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, Yokohama-shi, Japan (N.T.-K.); Pfizer Inc. Department of Pharmacokinetics, Dynamics and Metabolism, Pfizer, Groton, Connecticut (R.S.O.); and Genentech Inc. Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., San Francisco, California (C.E.C.A.H.)
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Research ArticleArticle
Substrate and Inhibitor QSAR Models for CYP2C9, 2D6, and 3A4
Eric Gonzalez, Sankalp Jain, Pranav Shah, Nao Torimoto-Katori, Alexey Zakharov, Ðắc-Trung Nguyễn, Srilatha Sakamuru, Ruili Huang, Menghang Xia, R. Scott Obach, Cornelis E. C. A. Hop, Anton Simeonov and Xin Xu
Drug Metabolism and Disposition September 1, 2021, 49 (9) 822-832; DOI: https://doi.org/10.1124/dmd.120.000320
Research ArticleArticle
Substrate and Inhibitor QSAR Models for CYP2C9, 2D6, and 3A4
Eric Gonzalez, Sankalp Jain, Pranav Shah, Nao Torimoto-Katori, Alexey Zakharov, Ðắc-Trung Nguyễn, Srilatha Sakamuru, Ruili Huang, Menghang Xia, R. Scott Obach, Cornelis E. C. A. Hop, Anton Simeonov and Xin Xu
Drug Metabolism and Disposition September 1, 2021, 49 (9) 822-832; DOI: https://doi.org/10.1124/dmd.120.000320
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