Exploring the binding features of polybrominated diphenyl ethers as estrogen receptor antagonists: docking studies
作者： W.H. Yang , Z.Y. Wang , H.L. Liu , H.X. Yu
DOI: 10.1080/10629361003773971
关键词:
摘要: The polybrominated diphenyl ethers (PBDEs) accumulating in nature are known to be endocrine-disrupting compounds. Of first concern those interacting with and altering activity of the human estrogen receptor alpha (hERalpha). In this study a docking was carried out explore binding modes PBDE compounds as hERalpha antagonists. It found that some antiestrogenic extended into channel (ER), which is usually occupied by alkylamine side chain ER antagonists raloxifene (RAL) 4-hydroxytamoxifen (OHT), while most without adopted similar agonist 17beta-estradiol (E2), located cavity did not protrude channel. present suggests pose comparison based on useful for discriminating whether or have activity. Knowing can help screen further develop descriptive predictive models ecotoxicology.
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