灵芝酸抗癌机制的分子模拟研究

A computational study on the anticancer mechanism of ganoderic acids

目的分析灵芝酸与肿瘤靶酶的相互作用模式,研究灵芝酸的抗肿瘤机制。方法根据灵芝酸结构寻找可能的肿瘤靶点,并基于靶点结构,利用分子对接,探讨灵芝酸与靶酶的相互作用模式以及作用强度。结果与结论预测了灵芝酸与肿瘤靶标的结合方式,有助于理解灵芝酸的抗肿瘤机制。

Objective To investigate the interactions between ganoderic acids and anticancer targets for further discovery of potent inhibitor. Methods Starting from ganoderic acid structures, potential anticancer target structure was retrieved from RCSB Protein DataBank. Then molecular docking method was Used to analyze the interactions modes and binding affinities between ganoderic acids and the target. Results and conclusions The interactions between ganoderic acids and their target were illustrated clearly. The results obtained in this paper will be useful for identifying drug target for ganoderic acids and elucidating anticancer mechanism.