银杏叶中抗抑郁活性成分的虚拟筛选  

Virtual Screening Antidepressant Components in Ginkgo Biloba Based on Molecular Docking Technology

作　　者：贾朝[1,2] 程敏[1] 王学军[1] 赵艳艳[1] 

机构地区：[1]商洛学院,陕西商洛726000 [2]西北大学化工学院,陕西西安710069

出　　处：《广州化工》2017年第16期8-10,共3页GuangZhou Chemical Industry

基　　金：基金项目:CADD技术在商药研究中的应用(11SKY007)

摘　　要：银杏叶是传统中药之一,具有抗抑郁的药理作用,但具体的活性成分和作用靶点尚不明确,本文利用分子对接软件Discovery Studio2.5中的Ligandfit模块,以55个已知的银杏叶有效成分作为配体分别与治疗抑郁症相关的药物靶点进行分子对接,并对对接结果打分,做一致性评价。对接结果结果显示:55个银杏叶化学成分中(+)-catechin,Sesamin和Dibutyl phthalate与抗抑郁相关靶点MAO-A和histamine H1 receptor结合的活性较高。虚拟筛选结果可以为银杏叶抗抑郁的物质基础和分子机制研究提供参考。Ginkgo biloba is one of traditional Chinese medicines,has the pharmacological effects of anti depression,but the active component and target specific is not clear,using Ligandfit module molecular docking software Discovery Studio 2. 5,Ginkgo biloba 55 active ingredients known as drug targets were associated with the treatment of depression by ligand molecular docking. According to the docking results,three components in Ginkgo Biloba,such as（ ＋）-catechin,sesamin n and Dibutyl phthalate,strong interaction with MAO-A and histamine H1 receptor was showed. They may be the major effective components in Ginkgo Biloba for treating depression. The method can be used to study the material base and molecular mechanism of Ginkgo Biloba in anti-depressive.

关 键 词：银杏叶 抗抑郁 分子对接 

分 类 号：TQ461[化学工程—制药化工]