Estrogenic activity of anthraquinone derivatives: in vitro and in silico studies.

  title={Estrogenic activity of anthraquinone derivatives: in vitro and in silico studies.},
  author={Fei Li and Xuehua Li and Jianping Shao and Ping Chi and Jingwen Chen and Zijian Wang},
  journal={Chemical research in toxicology},
  volume={23 8},
Comprehension of the ligand-receptor interactions is a prerequisite for constructing mechanism based quantitative structure-activity relationship (QSAR) models on xenoestrogenic activity. Molecular docking was performed to simulate the interactions between anthraquinone derivative (AQs) molecules and the estrogen receptor alpha (ERalpha). Hydrogen bonding, hydrophobic, and pi-pi interactions were found to be the dominant interactions between AQs and the receptor, which implied the estrogenic… CONTINUE READING


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Computational studies on anthraquinone-2-sulfonic acid, electrochemistry and electronic investigation

S. Riahi, S. Eynollahi, M. R. Ganjali
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