天然产物研究与开发 ›› 2020, Vol. 32 ›› Issue (12): 2040-2050.doi: 10.16333/j.1001-6880.2020.12.008

• 研究论文 • 上一篇    下一篇

基于网络药理学与分子对接探讨黄芪-女贞子药对治疗阿尔茨海默病的作用机制

陈博威1，易健2，刘柏炎1,3*，唐荣梅1，曾铖1


  

  1. 1湖南中医药大学，长沙 410208；2湖南中医药大学第一附属医院，长沙 410007；3益阳医学高等专科学校，益阳 413000

  • 出版日期:2020-12-28 发布日期:2020-12-24
  • 基金资助:
    国家自然科学基金（82074251）；湖南省自然科学基金（2018JJ2413）

Molecular mechanism of Astragalus Radix and Ligustri Lucidi Fructus herb pair in the treatment of Alzheimer's disease based on network pharmacology and molecular docking

CHEN Bo-wei1,YI Jian2,LIU Bai-yan1,3*,TANG Rong-mei1,ZENG Cheng1   

  1. 1Hunan University of Chinese Medicine,Changsha 410208,China; 2The First Affiliated Hospital of Hunan University of Chinese Medicine,Changsha 410007,China;3Yiyang Medical College,Yiyang 413000,China

  • Online:2020-12-28 Published:2020-12-24

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摘要： 本研究旨在探讨黄芪-女贞子药对治疗阿尔茨海默病的作用机制。通过中药系统药理学数据库检索黄芪与女贞子的活性成分与预测靶点；通过GEO、Genecards数据库挖掘阿尔茨海默病的相关靶点基因；通过Cytoscape软件与String数据库构建活性成分-靶点网络及蛋白互作网络图。对核心作用基因进行基因本体分析及京都基因与基因组百科全书通路富集分析，最后进行分子对接验证。结果筛选出黄芪-女贞子药对有效成分21个，关键作用基因41个，主要富集在阿尔茨海默病相关通路、AGE-RAGE信号通路、TNF信号通路及IL-17信号通路等，分子对接显示主要有效成分黄芪甲苷、齐墩果酸、山奈酚、槲皮素、木犀草素及芒柄花黄素均能与靶点较好的结合。综上，本研究根据黄芪-女贞子药对治疗阿尔茨海默病具有多成分、多靶点协同作用的特点，初步预测了其可能的分子作用机制，为后续研究提供了基础。 


关键词: 黄芪, 女贞子, 阿尔茨海默病, 网络药理学, 生物信息学, 分子对接

Abstract:

In order to explore the mechanism of Astragalus Radix (AR) and Ligustri Lucidi Fructus (LLF) herb pair in the treatment of Alzheimer's disease.The active components and predicted targets of AR and LLF were screened out through Traditional Chinese Medicine System Pharmacology database (TCMSP) and then the related target genes of Alzheimer's disease were mined through GEO and Genecards.The active component-target network and protein interaction was constructed by Cytoscape and String database.Gene ontology (GO) analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed on the core genes,and finally the molecular docking analysis of key active components was carried out.The results showed that 21 active components and 41 key genes from AR and LLF were screened out,which were mainly enriched in Alzheimer's disease pathway,AGE-RAGE signal pathway,TNF signal pathway and IL-17 signal pathway.Molecular docking showed that astragaloside,oleanolic acid,kaempferol,quercetin,luteolin and formononetin could well bind to the target.In summary,AR and LLF herb pair have the characteristics of multi-component and multi-target synergistic effect on the treatment of Alzheimer's disease.This study preliminarily predicted its possible molecular mechanism of action,and provided the basis for the follow-up study.

Key words: Astragalus Radix, Ligustri Lucidi Fructus, Alzheimer's disease, network pharmacology, bioinformatics, molecular docking

中图分类号:  R285

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