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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...
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| Publié dans: | Pharm Res |
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| Auteurs principaux: | , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
2014
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| Sujets: | |
| Accès en ligne: | 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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