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基于数据挖掘和网络药理学的冠心病中医用药研究
陈善达,万彩云,李 亮
0
(湖南中医药大学,湖南 长沙,410208)
摘要:
目的:对冠心病中医病案进行用药规律的挖掘分析,运用网络药理学阐释作用机制。方法:运用Excel表格及Python软件将中国知网、万方数据及维普中文科技期刊数据库中收集的343 例冠心病临床病案的证素以及用药进行频数统计、权值计算,获得核心中药。通过检索TCMSP、UniProt、TTD、Genecards、OMIM、DRUGEBANK等数据库,获得核心药物的活性成分、潜在作用靶点及冠心病相关的作用靶点。将药物与疾病的交集基因导入STRING平台构建PPI网络图,运用Cytoscape 3.9.0对图形进行修改并运用插件MCODE分析潜在蛋白质功能模块。将交集基因导入DAVID平台进行GO与KEGG富集分析,运用R语言对结果进行可视化展示。结果:通过数据挖掘发现治疗冠心病的潜在药对“丹参-郁金”。网络药理学分析发现,“丹参-郁金”包含柚皮素、隐丹参酮、黄芩苷、β-谷甾醇、木犀草素等在内的20个主要化合物和148个潜在靶基因,与筛选的4027个冠心病靶基因共有120个交集基因。对120个交集基因的GO富集分析发现566个生物进程,71个细胞组分,80个分子功能,KEGG富集分析得到108条信号通路。结论:“丹参-郁金”主要通过调控PI3K-Akt、HIF-1、FoxO、TNF、NF-κB和MAPK等信号通路诱导的炎症反应、细胞凋亡、细胞增殖、氧化应激等病理过程对冠心病起到治疗作用。
关键词:  冠心病  中医药治疗  数据挖掘  网络药理学  丹参  郁金
DOI:
Traditional Chinese medicine treatment of coronary heart disease based on data mining and network pharmacology
CHEN Shanda,WAN Caiyun,LI Liang
(Hunan University of Chinese Medicine,Changsha 410208,Hunan,China)
Abstract:
Objective:To investigate the medication rule in traditional Chinese medicine (TCM) medical records of coronary heart disease by data mining and the mechanism of action by network pharmacology.Methods:Excel and Python were used to perform frequency statistics and weight calculations of syndrome elements and medications in the medical records of 343 patients with coronary heart disease collected from CNKI,Wanfang Data,and VIP,and core TCM drugs were obtained.Databases including TCMSP,UniProt,TTD,Genecards,OMIM,and DRUGEBANK were searched to obtain the active components and potential action targets of the core TCM drugs and the action targets associated with coronary heart disease.The intersecting genes of the drugs and the disease were imported into STRING platform to construct a protein-protein interaction network;Cytoscape3.9.0 was used for modification,and the plug-in MCODE was used to analyze potential protein functions.The intersecting genes were imported into DAVID platform to perform gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses,and R language was used for visualization of results.Results:Data mining showed that “Salvia miltiorrhiza-Curcuma aromatica” was the potential drug combination for the treatment of coronary heart disease.Network pharmacology showed that “Salvia miltiorrhiza-Curcuma aromatica” contained 20 major compounds (including naringenin,cryptotanshinone,baicalin,beta-sitosterol,and luteolin) and had 148 potential target genes,and a total of 4027 target genes were screened out for coronary heart disease,which obtained 120 intersecting genes between the two groups of genes.GO enrichment analysis of these 120 intersecting genes found 566 biological processes,71 cellular components,and 80 molecular functions,and KEGG enrichment analysis obtained 108 signaling pathways.Conclusion:“Salvia miltiorrhiza-Curcuma aromatica” exerts a therapeutic effect on coronary heart disease by regulating the signaling pathways including PI3K-Akt,HIF-1,FoxO,TNF,NF-κB,and MAPK and inducing various pathological processes such as inflammatory response,cell apoptosis,cell proliferation,and oxidative stress.
Key words:  coronary heart disease  traditional Chinese medicine treatment  data mining  network pharmacology  Salvia miltiorrhiza  Curcuma aromatica

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