Computational Insight into Biotransformation Profiles of Organophosphorus Flame Retardants to Their Diester Metabolites by Cytochrome P450

Computational Insight into Biotransformation Profiles of Organophosphorus Flame Retardants to Their Diester Metabolites by Cytochrome P450

Biotransformation of organophosphorus flame retardants (OPFRs) mediated by cytochrome P450 enzymes (CYPs) has a potential correlation with their toxicological effects on humans. In this work, we employed five typical OPFRs including tris(1,3-dichloro-2-propyl) phosphate (TDCIPP), tris(1-chloro-2-pro...

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Bibliographic Details
Main Authors: Yue Jia, Tingji Yao, Guangcai Ma, Qi Xu, Xianglong Zhao, Hui Ding, Xiaoxuan Wei, Haiying Yu, Zhiguo Wang
Format: Article
Language:English
Published: MDPI AG 2022-04-01
Series:Molecules
Subjects:
organophosphorus flame retardant
P450 enzyme
biotransformation
density functional theory calculations
molecular dynamics simulations
Online Access:https://www.mdpi.com/1420-3049/27/9/2799

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https://www.mdpi.com/1420-3049/27/9/2799

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