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The molecular mechanism of the antagonistic activity of hydroxylated polybrominated biphenyl (OH-BB80) toward thyroid receptor beta
Zhang, Xiaofang; Cui, Shixuan; Pan, Liumeng; Dong, Wenhua; Ma, Mei; Liu, Weiping; Zhuang, Shulin
2019-12-20
Source PublicationSCIENCE OF THE TOTAL ENVIRONMENT
ISSN0048-9697
Volume697Pages:-
AbstractPolybrominated biphenyls (PBBs) were widely used as additive brominated flame retardants. Their hydroxylated products (OH-PBBs) have been detected frequently in various marine mammals, causing an increased health risk. Till now, there lacks information on the potential disruption of OH-PBBs toward thyroid hormone receptor (TR) and the molecular characteristics of their interactions remain largely unknown. We herein in vitro and in silico evaluated the disrupting effect of 3,3',5,5'-tetrabromobiphenyl (BB80) and its metabolite 2,2'-dihydroxy-3,3',5,5'-tetrabromobiphenyl (OH-BB80) toward human TR. The recombinant human TR beta two-hybrid yeast assay reveals the moderate antagonistic activity of OH-BB80 with IC20 at 2 mu mol/L, while BB80 shows no agonistic or antagonistic activity. OH-BB80 binds at the binding cavity of TR beta ligand binding domain (LBD) and forms one hydrogen bond with Phe272. Electrostatic interactions and hydrophobic interactions contribute much to their interactions. The binding of OH-BB80 quenches the intrinsic fluorescence of TR beta LBD at static quenching mode. Our study extends knowledge on the endocrine disrupting effect of OH-PBBs and suggests the full consideration of the biotransformation for further health risk assessment of PBBs and related structurally similar emerging contaminants. (C) 2019 Elsevier B.V. All rights reserved.
Department环境水质学国家重点实验室
KeywordHydroxylated brominated biphenyls Endocrine disrupting effect Molecular interactions Metabolic activation
Document Type期刊论文
Identifierhttp://ir.rcees.ac.cn/handle/311016/42677
Collection环境水质学国家重点实验室
Affiliation1.Zhejiang Univ, Coll Environm & Resource Sci, Hangzhou 310058, Zhejiang, Peoples R China
2.Hubei Prov Environm Monitoring Ctr, Wuhan 430072, Hubei, Peoples R China
3.Chinese Acad Sci, Res Ctr Ecoenvironm Sci, Key Lab Drinking Water Sci & Technol, Beijing 100085, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Xiaofang,Cui, Shixuan,Pan, Liumeng,et al. The molecular mechanism of the antagonistic activity of hydroxylated polybrominated biphenyl (OH-BB80) toward thyroid receptor beta[J]. SCIENCE OF THE TOTAL ENVIRONMENT,2019,697:-.
APA Zhang, Xiaofang.,Cui, Shixuan.,Pan, Liumeng.,Dong, Wenhua.,Ma, Mei.,...&Zhuang, Shulin.(2019).The molecular mechanism of the antagonistic activity of hydroxylated polybrominated biphenyl (OH-BB80) toward thyroid receptor beta.SCIENCE OF THE TOTAL ENVIRONMENT,697,-.
MLA Zhang, Xiaofang,et al."The molecular mechanism of the antagonistic activity of hydroxylated polybrominated biphenyl (OH-BB80) toward thyroid receptor beta".SCIENCE OF THE TOTAL ENVIRONMENT 697(2019):-.
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