CYP1B1- and CYP1A1-Template systems and their application to metabolism and inhibition

Abstract Prediction of cytochrome P450 (CYP)-mediated metabolism is crucial for assessing the safety of chemicals. An in silico system to reproduce CYP1B1-mediated reactions has been developed by the reverse construction of ligand-accessible spaces from ligand assemblies as a fused grid Template* sy...

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Principais autores:	Yasushi Yamazoe, Kaori Ambe, Masahiro Tohkin, Takashi Yamada, Kenichi Masumura
פורמט:	Artigo
שפה:	Inglês
יצא לאור:	BMC 2025-12-01
סדרה:	Genes and Environment
נושאים:	CYP1B1-mediated metabolism Fused-grid Template Modes of inhibition Distinction from CYP1A1 Simulation of ligand-interaction on Template
גישה מקוונת:	https://doi.org/10.1186/s41021-025-00351-x
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