Insights into the metabolic mechanism of PBDEs catalyzed by cytochrome P450 enzyme 3A4: A QM/MM study
Ruiming Zhang, Pengfei Li, Xiangli Shi, Ruiying Zhang, Junjie Wang, Yanwei Li, Qingzhu Zhang, Wenxing Wang
Topics & Concepts
Polybrominated diphenyl ethersChemistryBiotransformationDiphenyl etherCytochrome P450EnzymeMetabolic pathwayBiocatalysisEtherElectrophileEnvironmental chemistryStereochemistryCatalysisOrganic chemistryReaction mechanismPollutantToxic Organic Pollutants ImpactPharmaceutical and Antibiotic Environmental ImpactsEffects and risks of endocrine disrupting chemicals