Non-Intercalative Triterpenoid Inhibitors of Topoisomerase II: A Molecular Docking Study

William N. Setzer

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Non-Intercalative Triterpenoid Inhibitors of Topoisomerase II: A Molecular Docking Study

机译：拓扑异构酶II的非插入性三萜类抑制剂：分子对接研究。

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Theoretical flexible docking studies were carried out on a number of triterpenoids previously shown to be inhibitors of topoisomerase II in order to assess the nature of binding of these non-intercalative inhibitors to the enzyme. The molecular docking results suggest that most of the triterpenoids preferentially bind to the DNA binding site of topoisomerase II, while a few also bind to the ATP binding site. These results provide some insight into the mode of activity of these cytotoxic natural products.

机译：为了评估这些非嵌入抑制剂与酶的结合性质，对许多先前显示为拓扑异构酶II抑制剂的三萜类化合物进行了理论上灵活的对接研究。分子对接的结果表明，大多数三萜类化合物优先与拓扑异构酶II的DNA结合位点结合，而少数也与ATP结合位点结合。这些结果为这些细胞毒性天然产物的活性模式提供了一些见识。

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《The Open Bioactive Compounds Journal》 |2013年第1期|共5页
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William N. Setzer;
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中图分类生物化学;
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Non-Intercalative Triterpenoid Inhibitors of Topoisomerase II: A Molecular Docking Study

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