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

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
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
Series:Frontiers in Pharmacology
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
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