Interactions of bisphenol diglycidyl ethers with estrogen receptors alpha: Fluorescence polarization, reporter gene, and molecular modeling investigations
文献类型： 外文期刊
作者： Zhang, Jie 1 ; Lv, Chengyu 2 ; Li, Zhuolin 2 ; Guan, Tianzhu 1 ; Wang, Yongjun 2 ; Li, Tiezhu 2 ; Zhang, Tiehua 1 ;
作者机构： 1.Jilin Univ, Coll Food Sci & Engn, Changchun 130062, Peoples R China
2.Jilin Acad Agr Sci, Inst Agrofood Technol, Changchun 130033, Jilin, Peoples R China
关键词： Endocrine disrupting compounds; Estrogen receptors alpha; Quantitative structure-activity relationships
期刊名称：TOXICOLOGY LETTERS （ 2020影响因子：4.372； 五年影响因子：4.372 ）
ISSN： 0378-4274
年卷期： 2020 年 332 卷
收录情况： SCI
摘要： Based on human estrogen receptor alpha ligand binding domain (hER alpha-LBD) as recognition element, a fluorescence polarization assay was developed for the determination of bisphenol A diglycidyl ether (BADGE), bisphenol F diglycidyl ether (BFDGE), and their derivatives. Fluorescence polarization assay showed that BADGE, BFDGE and their derivatives exhibited dose-dependent binding to the receptor protein. The results of reporter gene assay indicated that all the tested bisphenol diglycidyl ethers show no agonistic activities, but some of them exhibit anti-estrogenic activities toward ER alpha. All the tested bisphenol diglycidyl ethers fitted into the hydrophobic binding pocket and adopted the conformation that resembled 4-hydroxytamoxifen, a selective antagonist of ER alpha. Quantitative structure-activity relationship analysis showed that the binding potencies of bisphenol diglycidyl ethers with hER alpha-LBD might be structure-dependent. This work may provide insight into the in silico screening of ER ligands from unsuspected chemicals.
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