Novel (Q)SAR models for prediction of reversible and time-dependent inhibition of cytochrome P450 enzymes

The 2020 FDA drug-drug interaction (DDI) guidance includes a consideration for metabolites with structural alerts for potential mechanism-based inhibition (MBI) and describes how this information may be used to determine whether in vitro studies need to be conducted to evaluate the inhibitory potent...

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Bibliographic Details

Published in:	Frontiers in Pharmacology
Main Authors:	Sadegh Faramarzi, Arianna Bassan, Kevin P. Cross, Xinning Yang, Glenn J. Myatt, Donna A. Volpe, Lidiya Stavitskaya
Format:	Article
Language:	English
Published:	Frontiers Media S.A. 2025-02-01
Subjects:	CYP = cytochrome P450 reversible inhibition time dependent inhibition QSAR SAR computational model
Online Access:	https://www.frontiersin.org/articles/10.3389/fphar.2024.1451164/full