基于网络药理学和分子对接探讨智脑胶囊改善阿尔茨海默病的作用机制

借助网络药理学和分子对接技术，探讨智脑胶囊改善阿尔茨海默病的干预机制。通过TCMSP、TCMID等多个数据库寻找与智脑胶囊相关的化学成分及其作用靶点；利用GeneCard等数据库获取阿尔茨海默病的作用靶点；运用Venny2.1网站筛选出药物与疾病的交集靶点；使用STRING平台和Cytoscape软件进行拓扑分析得到智脑胶囊治疗阿尔茨海默病的核心作用靶点；采用Metaspace数据库对潜在核心作用靶点进行GO(gene ontology)及KEGG(Kyoto encyclopedia of genes and genomes)通路富集分析；利用AutoDock软件使用分子对接验证活性化合物与核心靶点的结合能力。结果表明：在智脑胶囊中共筛选出44个活性成分和292个有效靶点，智脑胶囊与阿尔茨海默病共同靶点58个；蛋白质-蛋白质相互作用得出关键靶点包括AKT1、IL-6、TNF等；GO分析共包含1 419条，KEGG得到175条代谢通路，主要包括脂质与动脉硬化、TNF信号通路；分子对接显示关键成分与靶点具有良好的结合能力。研究表示智脑胶囊可能通过脂质与动脉硬化和TNF信号通路等途径来减轻...

Mechanisms of Zhinao Capsules in the treatment of Alzheimer's disease based on network pharmacology and molecular docking

To explore the intervention mechanism of Alzheimer's disease improvement with the help of network pharmacology and molecular docking technology. TCMSP, TCMID, and other databases were used to search for chemical components and their targets. GeneCard and other databases were utilized to obtain the targets of Alzheimer's disease. Furthermore, Venny2.1 website was used to screen the intersection targets of drugs and diseases.STRING platform and Cytoscape software were used to performtopology analysis forobtaining the core targets of Alzheimer's disease treated using Zhinao Capsules. Moreover, Metaspace database was exploited to perform Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG) analysis of potential core targets. The binding ability of the active compounds to the core targets was verified with molecular docking using AutoDock software. The results showed that a total of 44 active ingredients and 292 active targets were identified in the capsule. There were 58 common targets between Zhinao Capsules and Alzheimer's disease. The protein-protein interaction yielded several key targets, including AKT1, IL-6, and TNF. GO and KEGG analyses yielded a total of 1 419 and 175 metabolic pathways, respectively, which mainly includedlipid and atherosclerosis and TNF signaling pathways. Molecular docking showed that the key ingredients and targets had good binding ability. These findings suggest that Zhinao Capsules may reduce the inflammatory response and improve memory function vialipid and atherosclerosis and TNF signaling pathways.