Development of a Novel CYP3A4 Classifier Model via Site of Metabolism (SOM)-based Molecular Docking, Multivariate Analysis and Molecular Dynamics of Known Substrates and Inhibitors
CYP3A4 is a major hepatic enzyme essential for metabolizing diverse chemical entities. The development of CYP3A4 substrate and inhibitor classifier models is a valuable research strategy to prevent toxicokinetics. Currently, no molecular docking model is available to classify the substrates and inhi...
| Published in: | Journal of Computational Biophysics and Chemistry |
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| Main Author: | |
| Format: | Article |
| Language: | English |
| Published: |
World Scientific
2024
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| Online Access: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85179061037&doi=10.1142%2fS2737416523500618&partnerID=40&md5=93d0041781a4a6a578ac4888d8971c9b |