基于网络药理学和分子对接探究氨杞康口服液治疗高脂血症的作用机制

Study of Action Mechanism of Anqikang Oral Liquid Treating Hyperlipidemia Based on Network Pharmacology and Molecular Docking

目的:基于网络药理学和分子对接分析氨杞康口服液治疗高脂血症(HLP)的作用机制。方法:通过中药系统药理学数据库与分析平台(TCMSP)及中国知网、万方医学网、根哥学术、SCI-HUB、中国科学文献服务系统等数据库挖掘枸杞子和蚕蛹的活性成分及作用靶点;通过GeneCards、OMIM、TTD和DrugBank数据库收集疾病靶点;获取成分-疾病交集靶点;构建“药物-成分-靶点”网络;建立蛋白质相互作用(PPI)网络并进行拓扑分析;核心靶点进行基因本体论(GO)和京都基因与基因组百科全书(KEGG)富集分析;将关键成分与对应的关键靶点进行分子对接验证。结果:网络药理学结果显示,氨杞康口服液治疗高脂血症的活性成分20个,作用靶点60个;关键靶点为血管内皮生长因子A(VEGFA)、表皮生长因子(EGF)、CXC趋化因子配体8(CXCL8)等;GO富集分析得到1388项(P<0.05);KEGG富集分析得到95条信号通路(P<0.05)。分子对接验证显示槲皮素、黄豆黄素、β-胡萝卜素与9个核心靶点具有较好的亲和力。结论:氨杞康口服液治疗HLP是通过多成分-多靶点-多通路共同作用实现的,为了解氨杞康口服液治疗HLP的作用机制提供基础。

Objective:Based on the network pharmacology method and molecular docking,to analyze the action mechanism of anqikang oral liquid in the treatment of hyperlipidemia.Methods:The active ingredients and targets of Lycii Fructus and Silkworm Chrysalis were collected through TCMSP database,CNKI,WanFang,GeenMedical,SCI-HUB and other literature databases.Targets of diseases were collected through GeneCards,OMIM,TTD and DrugBank databases.Ingredient-disease common targets were got and the"drug-ingredient-target"network was constructed.The PPI network was established and topology analysis was performed.Core targets were analyzied by GO and KEGG enrichment.The key components and corresponding key targets were verified by molecular docking.Results:The network pharmacology results showed that anqikang oral liquid has 20 active ingredients and 60 targets for the treatment of hyperlipidemia.The key targets are VEGFA,EGF,CXCL8,etc.GO enrichment analysis yielded 1388 items(P<0.05).KEGG enrichment analysis yielded 95 signal pathways(P<0.05).Molecular docking verification showed that quercetin,glycitein,andβ-carotene have good affinity with the 9 core targets.Conclusion:The therapeutic effect of anqikang oral liquid in the treatment of hyperlipidemia is achieved through the joint action of multiple components,multiple targets,and multiple pathways,which provides the basis for understanding the action mechanism of anqikang oral liquid treating hyperlipidemia.