基于分子对接技术天然药物挥发油抗抑郁研究  

Study on Antidepressant of Natural Medicine Volatile Oil Based on Molecular Docking Technology

作　　者：李远洋 李玉姗 王芳芝 余耀琨 曾靖雯 LI Yuan-yang;LI Yu-shan;WANG Fang-zhi;YU Yao-kun;ZENG Jing-wen(Zhaoqing University,Guangdong Zhaoqing 526061,China)

机构地区：[1]肇庆学院食品与制药工程学院,广东肇庆526061

出　　处：《广州化工》2020年第19期43-47,共5页GuangZhou Chemical Industry

基　　金：肇庆学院大学生创新训练项目(NO.201810580081)。

摘　　要：单胺氧化酶(MAO)主要分布在脊椎动物的大脑和肝脏中,单胺氧化酶有两种亚型,分别为MAO-A和MAO-B,其中MAO-A是抗抑郁药物研发的靶点之一。本论文选取文献报道具有抗抑郁作用的天然药物挥发油,通过应用Discovery Studio(简称DS)分子模拟软件,模拟挥发油组分与靶点MAO-A的结合,分析其作用亲和力与结合方式,为天然药物挥发油抗抑郁成分作用机制提供参考,为发现新型抗抑郁药物提供研究方向。Monoamine oxidase(MAO)is mainly distributed in the brain and liver of vertebrates,and MAO-A is an important target of antidepressant drugs.The volatile oil of natural medicine with antidepressant effect reported in the literature was selected.Through the application of Discovery Studio,the binding site of the components of volatile oil of natural medicine with MAO-A was simulated.This study may provide a reference for the mechanism of antidepressant components of natural medicine volatile oil,and provide help for the discovery of new antidepressant drugs.

关 键 词：挥发油 抗抑郁 MAO-A 分子对接 

分 类 号：R914[医药卫生—药物化学]