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鬼臼毒素衍生物GL331的合成及与拓扑异构酶 IIα的分子模拟

胡炽文, 刘鹰翔*   

  1. 广州中医药大学 中药学院, 广东 广州 510006
  • 收稿日期:2009-11-29 修回日期:2009-12-15 出版日期:2010-01-15 发布日期:2010-01-15
  • 通讯作者: 刘鹰翔*

Synthesis of podophyllotoxin derivative GL331 and identification of it binding site on topoisomerase IIα with molecular modeling

Chi-Wen Hu, Ying-Xiang Liu*   

  1. College of Chinese Traditional Medicine, Guangzhou University of Chinese Medicine, Guangzhou 510006, China
  • Received:2009-11-29 Revised:2009-12-15 Online:2010-01-15 Published:2010-01-15
  • Contact: Ying-Xiang Liu*

摘要: 本文以鬼臼毒素为起始原料, 三甲基碘硅烷为碘代试剂, 采用“一锅法”成功合成了鬼臼毒素衍生物GL331。通过分子对接的方法探讨了GL331与DNA拓扑异构酶 IIα的结合位点及作用模式。结果表明, GL331与DNA拓扑异构酶 IIα的ATP结合位点紧密结合, GL331很有可能作为拓扑异构酶 IIα的ATP竞争性抑制剂而发挥抗肿瘤作用。

关键词: 合成, GL331, 拓扑异构酶IIα, 分子对接

Abstract: A facile one-pot procedure has been developed for the synthesis of GL331 in 26% overall yield. In addition, molecular modeling study was carried out to predict the binding site of GL331 with human topoisomerase IIα. The result showed that GL331 exhibited high affinity for the ATPase domain of human topoisomerase IIα and suggested that GL331 probably acts as a competitor of ATP for binding with the human topoisomerase IIα.

Key words: Synthesis, GL331, Topoisomerase IIα, Molecular docking

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*Corresponding author. Tel.: 86-20-39358251; 13826072145