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

第一作者： Zhang, Jie

作者： Zhang, Jie;Guan, Tianzhu;Zhang, Tiehua;Lv, Chengyu;Li, Zhuolin;Wang, Yongjun;Li, Tiezhu

作者机构：

关键词： Endocrine disrupting compounds; Estrogen receptors alpha; Quantitative structure-activity relationships

期刊名称：TOXICOLOGY LETTERS （ 影响因子：4.372； 五年影响因子：4.372 ）

ISSN： 0378-4274

年卷期： 2020 年 332 卷

页码：

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.

分类号：

  • 相关文献
作者其他论文 更多>>

微信小程序