Molecular mechanisms of endocrine and metabolic disruption: An in silico study on antitrypanosomal natural products and some derivatives
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- 作者：Zhenquan Hu ; Joë ; l Wahl ; Matthias Hamburger ; Angelo Vedani ; angelo.vedani@unibas.ch" class="auth_mail" title="E-mail the corresponding author
- 关键词：VirtualToxLab ; Adverse effects ; In silico profiling ; Molecular-dynamics simulations ; Antitrypanosomal natural products
- 刊名：Toxicology Letters
- 出版年：2016
- 出版时间：11 June 2016
- 年：2016
- 卷：252
- 期：Complete
- 页码：29-41
- 全文大小：4448 K
文摘
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Antitrypanosomal active natural products may trigger endocrine disregulation.
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Only few antitrypanosomal active natural products sustain drug–drug interactions.
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More complex toxic endpoints may be elucidated by molecular simulations.
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The VirtualToxLab allows identifying side effects and associated molecular mechanisms.
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The VirtualToxLab is freely available for academic and non-profit organizations.