中医治疗冠心病合并高脂血症用药规律及机制的R语言和网络药理学分析  

Medication rules and mechanism of action analysis of traditional Chinese medicine in the treatment of coronary heart disease combined with hyperlipidemia based on R language data mining and network pharmacology

作　　者：霍耀辉 张静 周立蓉[1] 朱贝贝[3] 刘凯[1] HUO Yaohui;ZHANG Jing;ZHOU Lirong;ZHU Beibei;LIU Kai(Gansu University of Chinese Medicine,Lanzhou,Gansu,730000 P.R.China;Gansu Provincial Center Hospital,Lanzhou,Gansu,730070P.R.China;Evidence-based Medical Center,Gansu University of Chinese Medicine,Lanzhou,Gansu,730000 P.R.China)

机构地区：[1]甘肃中医药大学,甘肃兰州730000 [2]甘肃省中心医院,甘肃兰州730070 [3]甘肃中医药大学循证医学中心,甘肃兰州730000

出　　处：《华西药学杂志》2024年第6期655-663,共9页West China Journal of Pharmaceutical Sciences

基　　金：国家自然科学基金资助项目(批准号:82260869);甘肃省高等学校创新基金项目(2021B-172)。

摘　　要：目的探析中医治疗冠心病合并高脂血症的用药规律,预测核心药物组合的潜在作用机制。方法在中文数据库中检索中医药治疗冠心病合并高脂血症的相关文献,构建处方数据库;应用R语言进行药物频次统计、关联规则分析;应用Cytoscape软件,筛选主要活性成分和核心靶点;通过Metascape平台进行基因本体论(GO)功能分析及京都基因与基因组百科全书(KEGG)富集分析,探究核心药物组合治疗的生物学过程和相关通路,以阐明作用机制;运用分子对接技术验证关键活性成分与关键核心靶点。结果筛选出62首处方、134味中药。关联规则分析得出丹参-山楂-半夏是具有着强关联性的核心药物组合。丹参-山楂-半夏治疗冠心病合并高脂血症的有效活性成分有86个,潜在靶点有155个。经拓扑分析,得出主要活性成分16个、核心靶点33个。KEGG富集分析提示:主要涉及脂质与动脉粥样硬化通路、流体剪切应力、Th17细胞分化、IL-17等多种信号通路。分子对接结果显示:关键活性成分与关键核心靶点对接良好,其中,木犀草素与AKT1、IL6、VEGFA、TP53、PPARG之间结合性最好。结论中医药治疗冠心病合并高脂血症的组方用药以化痰降浊、活血祛淤为主,辅以扶正益气,并注重调畅气机。丹参-山楂-半夏可能是通过脂质沉积、炎症反应、血管内皮损伤等机制发挥治疗作用,为中医治疗冠心病合并高脂血症提供了一定的理论依据。OBJECTIVE To explore and analyze medication rules of TCM treating coronary heart disease combined with hyperlipidemia,further to predict potential mechanisms of action of core drug combinations treat coronary heart disease combined with hyperlipidemia.METHODS Relevant literature was searched on the treatment of coronary heart disease combined with hyperlipidemia by TCM in Chinese databases,and a prescription database was established.R language for drug frequency statistics and association rules analysis was applied;key active ingredients and core targets was screened by Cytoscape software;GO function and KEGG enrichment were analyze by Metascape platform to explore the biological processes and related pathways of core drug combinations to treat the disease to elucidate the mechanism of action;key active ingredients and key core targets were ralidated using molecular docking technology.RESULTS A total of 62 prescriptions with 134 herbs were obtained after the screening.The analysis of association rules that Salvia miltiorrhiza-Crataegus pinnatifida-Pinellia ternata(SCP)was a core drug combination with strong association.There were 86 active ingredients and 155 potential targets for the treatment of coronary heart disease combined with hyperlipidemia in the SCP,with 16 main active ingredients and 33 core targets obtained by topological analysis.KEGG enrichment analysis suggested that mainly involved in lipid and atherosclerotic pathways,fluid shear stress,Th17 cell differentiation,and IL-17 and so on various signaling pathways were.Molecular docking results showed that the key active ingredients docked well with the key core targets,with the best combination between luteolin and AKT1,IL6,VEGFA,TP53,and PPARG.CONCLUSION The prescription of TCM for the treatment of coronary heart disease combined with hyperlipidemia is based on resolving phlegm and lowering turbidity,activating blood circulation,and removing blood stasis.SCP in the treatment of this disease may function through a variety of mechanisms.

关 键 词：R语言 数据挖掘 网络药理学 分子对接 中医药 冠心病合并高脂血症 丹参-山楂-半夏 作用机制 

分 类 号：R96[医药卫生—药理学]