Experimental and computational insights on the recognition mechanism between the estrogen receptor α with bisphenol compounds
作者: Huiming CaoFengbang WangYong LiangHailin WangAiqian ZhangMaoyong Song
作者单位: 1Chinese Academy of Science
2University of Chinese Academy of Sciences
3Jianghan University
刊名: Archives of Toxicology, 2017, Vol.91 (12), pp.3897-3912
来源数据库: Springer Nature Journal
DOI: 10.1007/s00204-017-2011-0
关键词: Estrogen receptor αBisphenolsEstrogenic activityMolecular dynamics simulations
英文摘要: Certain bisphenols (BPs) have been regarded as endocrine-disrupting chemicals due to their structural similarities to bisphenol A (BPA), a well-known weak estrogenic chemical. However, very limited data are currently available on the relationship between estrogenic activity and the structure of BP analogs. Therefore, we systematically investigated the estrogenic potency of 14 selected BP analogs with typical structures using experimental and computational methods. Most of the tested BP analogs exhibited weak estrogenic activities in both cell proliferation and MVLN assays with the exception of TBBPA, TCBPA and TBBPS. Molecular modeling techniques have been performed to investigate the dynamic structural characteristics of recognition processes between BPs and estrogen receptor α (ERα) at...
原始语种摘要: Certain bisphenols (BPs) have been regarded as endocrine-disrupting chemicals due to their structural similarities to bisphenol A (BPA), a well-known weak estrogenic chemical. However, very limited data are currently available on the relationship between estrogenic activity and the structure of BP analogs. Therefore, we systematically investigated the estrogenic potency of 14 selected BP analogs with typical structures using experimental and computational methods. Most of the tested BP analogs exhibited weak estrogenic activities in both cell proliferation and MVLN assays with the exception of TBBPA, TCBPA and TBBPS. Molecular modeling techniques have been performed to investigate the dynamic structural characteristics of recognition processes between BPs and estrogen receptor α (ERα) at...
全文获取路径: Springer Nature  (合作)
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影响因子:5.215 (2012)

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关键词翻译
关键词翻译
  • estrogenic 动情的
  • recognition 识别
  • bisphenols 双酚
  • computational 计算的
  • receptor 接受体
  • mechanism 机构
  • available 可供应的
  • recruitment 补充
  • observed 观察到的
  • between 在中间