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...

Descrición completa

Detalles Bibliográficos

Principais autores:	Yasushi Yamazoe, Kaori Ambe, Masahiro Tohkin, Takashi Yamada, Kenichi Masumura
Formato:	Artigo
Idioma:	Inglês
Publicado:	BMC 2025-12-01
Series:	Genes and Environment
Assuntos:	CYP1B1-mediated metabolism Fused-grid Template Modes of inhibition Distinction from CYP1A1 Simulation of ligand-interaction on Template
Acceso en liña:	https://doi.org/10.1186/s41021-025-00351-x
Tags:	Engadir etiqueta Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!