基于网络药理学和分子对接研究红花治疗阿尔茨海默病的作用机制

目的:运用网络药理学和分子对接的方法研究红花治疗阿尔茨海默病(AD)的作用机制。方法:通过查阅文献和数据库获取红花的有效药物成分,利用数据库预测红花的成分靶点与AD的靶点,并对红花靶标基因进行标准化。运用Cytoscape 3.7.2软件构建“红花-成分-靶点”网络,利用红花的靶标基因与AD的靶标基因的交集基因构建蛋白相互作用(PPI)网络。通过DAVID数据库进行GO分析和KEGG富集分析,最后利用Ledock软件对关键成分与核心靶点进行分子对接。结果:获得21种红花有效成分和391个作用靶点,AD的疾病靶点535个,其中红花与AD的共同作用靶点有94个。共得到535个GO分析,43个KEGG通路,主要涉及阿尔茨海默病信号通路、ErbB信号通路、5-羟色胺能突触、癌症中的蛋白多糖等;分子对接结果显示,核心成分与关键靶点具有良好的结合能力。结论:红花治疗由微循环障碍引起的AD的潜在作用机制,且具有多成分、多靶点、多通路的特点。

Study on the Network Pharmacological Mechanism of Carthami Flos in the treatment of Alzheimer's Disease

Objective: To study the mechanism of Carthami Flos (CF) in the treatment of Alzheimer''s disease (AD) by network pharmacology and molecular docking. Methods: The effective drug components of CF were obtained through literature review and database, and the constituent targets of CF and the targets of AD were predicted by database, and the CF target genes were standardized. Cytoscape 3.7.2 software was used to construct the CF component-target network, and the protein interaction (PPI) network was constructed by using the intersection genes of CF target gene and AD target gene. DAVID database was used for GO analysis and KEGG enrichment analysis, and Ledock software was used for molecular docking of key components and core targets. Results: 21 active components and 391 targets of CF were obtained, including 535 targets of AD, among which 94 were co-targets of CF and AD. A total of 535 GO analyses and 43 KEGG pathways were obtained. It mainly involves AD signaling pathway, ErbB signaling pathway, 5- hydroxytryptaminergic synapse, proteoglycan in cancer, etc. Conclusion: This study revealed the potential mechanism of action of CF in treating AD caused by microcirculation disorders through multi-component targets and pathways, and laid a foundation for further drug research on molecular mechanisms.