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Combining Structure- and Ligand-Based Approaches to Improve Site of Metabolism Prediction in CYP2C9 Substrates

PURPOSE: Predicting atoms in a potential drug compound that are susceptible to oxidation by cytochrome P450 (CYP) enzymes is of great interest to the pharmaceutical community. We aimed to develop a computational approach combining ligand- and structure-based design principles to accurately predict s...

詳細記述

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書誌詳細
出版年:Pharm Res
主要な著者: Kingsley, Laura J., Wilson, Gregory L., Essex, Morgan E., Lill, Markus A.
フォーマット: Artigo
言語:Inglês
出版事項: 2014
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC4329266/
https://ncbi.nlm.nih.gov/pubmed/25208877
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11095-014-1511-3
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