Insights into the metabolic mechanism of PBDEs catalyzed by cytochrome P450 enzyme 3A4: A QM/MM study.

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第一作者： Ruiming,Zhang

第一单位： Environment Research Institute, Shandong University, Qingdao, 266237, PR China.

作者： Ruiming,Zhang ^[1] ; Pengfei,Li ^[2] ; Xiangli,Shi ^[3] ; Ruiying,Zhang ^[1] ; Junjie,Wang ^[1] ; Yanwei,Li ^[1] ; Qingzhu,Zhang ^[4] ; Wenxing,Wang ^[1]

作者单位： Environment Research Institute, Shandong University, Qingdao, 266237, PR China. ^[1] Shandong Academy for Environmental Planning, Jinan, 250014, PR China. ^[2] College of Geography and Environment, Shandong Normal University, Jinan, 250014, PR China. ^[3] Environment Research Institute, Shandong University, Qingdao, 266237, PR China. Electronic address: zqz@sdu.edu.cn. ^[4]

关键词 Cytochrome P450 enzymes Metabolic mechanism Polybrominated diphenyl ethers Quantum mechanics/molecular mechanics

主题词催化作用(Catalysis);细胞色素P450酶系统(Cytochrome P-450 Enzyme System);卤化二苯醚类(Halogenated Diphenyl Ethers);人类(Humans);分子动力学模拟(Molecular Dynamics Simulation)

DOI 10.1016/j.chemosphere.2021.130430

PMID 33836398

发布时间 2021-06-15

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