换一批Study on the binding characteristics of hydroxylated polybrominated diphenyl ethers and thyroid transporters using the multispectral technique and computational simulation.
第一作者：
Yuchen,Wei
第一单位：
a Guangxi Colleges and Universities Key Laboratory of Food Safety and Detection, College of Chemistry and Bioengineering , Guilin University of Technology , Guilin 541004 , China.
作者：
关键词
4 hydroxy-2,2′,3,4,5,5′,6- heptabromodiphenyl ether (4-OH-BDE187)4 hydroxy-2,2′,3,4′,5,6,6′- heptabromodiphenyl ether (4-OH-BDE188)4′-hydroxy-2, 2′,4,5′- tetrabromodiphenyl ether (4′-OH-BDE49)Genetic algorithm (GA)Hydroxylated polybrominated diphenyl ethers (OH-PBDEs)Molecular dynamics (MD)Polybrominated diphenyl ethers (PBDEs)Radius of gyration (Rg)Root mean square deviations (RMSD)Root mean square fluctuation (RMSF)Thyroid hormone (T4)Thyroid transporter (TTR)Triiodothyronine (T3)Tris(hydroxymethyl)aminomethane (Tris)hydroxylated polybrominated diphenyl ethersmolecular dockingmolecular dynamics simulationspectroscopythyroid transporter
医学主题词
结合部位(Binding Sites);卤化二苯醚类(Halogenated Diphenyl Ethers);配体(Ligands);模型, 分子(Models, Molecular);分子动力学模拟(Molecular Dynamics Simulation);分子结构(Molecular Structure);蛋白质结合(Protein Binding);谱学, 傅里叶变换红外(Spectroscopy, Fourier Transform Infrared);构效关系(Structure-Activity Relationship);热力学(Thermodynamics);甲状腺素结合蛋白质类(Thyroxine-Binding Proteins)
DOI
10.1080/07391102.2018.1461134
PMID
29620440
发布时间
2020-05-11
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