网络药理学与分子对接研究黄芪治疗阿尔兹海默病的作用机制

Mechanism of Astragalus propinquus S.Against Alzheimer’s Disease Based on Network Pharmacology and Molecular Docking

为了研究黄芪中活性成分治疗阿尔兹海默病的作用机制,采用网络药理学与分子对接模拟方法,利用相关数据库确定疾病靶点,构建靶点相互作用和药物-成分-靶蛋白-疾病网络,在DAVID数据库进行基因本体富集分析和京都基因与基因组百科全书数据库通路富集分析,并对靶点进行分子对接模拟验证。结果表明:筛选到20种黄芪抗阿尔兹海默病的活性成分,其中槲皮素、山奈酚、异鼠李素、刺芒柄花素、 7-O-甲基-异微凸剑叶莎醇为关键成分;筛选出118个交集靶点,含6个关键靶点,各靶点富集于炎症反应细胞凋亡等生物过程;分析得到180条信号通路,作用机制主要与TNF、 PI3K-Akt、 IL-17等通路相关。

To study the action mechanism of active components in Astragalus propinquus S.in treatment of Alzheimer’s disease,methods of network pharmacology and molecular docking simulation were used to identify disease targets using relevant databases,construct target interaction and the drug-ingredient-target protein-disease network,and then conduct enrichment analysis of gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway in DAVID database,and the target sites were verified by molecular docking simulation.The results show that 20 active components of Astragalus propinquus S.against Alzheimer’s disease are screened,among which quercetin,kaempferol,isorhamnetin,formononetin and 7-O-methylisomucronulatol are the key components.A total of 118 intersection targets are screened,including six key targets,which are enriched in biological processes such as inflammatory response cell apoptosis.A total of 180 signaling pathways are obtained,and the action mechanism is mainly related to TNF,PI3K-Akt,IL-17 and other pathways.