利用Autodock预测苍术酮的潜在抗肿瘤靶点

Poteintial targets prediction research of atractylon using Autodock

[目的]苍术酮是苍术的重要成分之一,研究显示其具有抗肿瘤作用,但其作用靶点目前尚不明确。本文利用Autodock模拟预测苍术酮的潜在抗肿瘤靶标。[方法]采用Autodock 4.0软件进行分子对接。[结果]模拟分析得出苍术酮与AKT、MMP-9、Bcl-xl等的结合较好,且苍术酮与他们的功能区域存在相互作用。[结论]AKT、MMP-9、Bcl-xl可能是苍术酮的潜在抗肿瘤靶点。本文丰富了苍术酮的抗肿瘤机理,也为以苍术酮为先导化合物,开发新型靶向抗肿瘤药物提供理论基础和技术支持。

[ Objective ] Atractylon, has anti -tumor effect in several researches is an important compounds of Atractylodes Lancea （ Thunb. ） DC. However,the anti - tumor targets of atractylon have not been understoond. In this study, the potential tagets of Atractylon were researched by Autodock software. [ Methods] Autodock was used to analysis the interaction between AKT, MMP- 9, Bcl -xl and atractylon. [ Results ] The results indicated that atractylon bind to AKT, MMP - 9, Bcl - xl by high affinity. [ Discussion ] AKT, MMP - 9, Bcl - xl may be the potential targets of atractylon. This study may not only replenishs the anti - tumor mechanism of atractylon, but also pro- vides the technial support to research and develop novel anti -tumor target medicine which bases on atractylon as rudimentary compound.