基于数据挖掘与网络药理学探讨中药方剂治疗心肌缺血的用药规律及分子机制

Discussion on the rule and molecular mechanism of traditional Chinese medicine prescription for treatment of myocardial ischemia based on data mining and network pharmacology

关键词:  心肌缺血  用药规律  分子机制

Key words:  myocardial ischemia  medication rule  molecular mechanism

摘要:

[目的] 通过数据挖掘和网络药理学方法探索中药方剂治疗心肌缺血的用药规律与分子机制。[方法] 在国家专利网筛选并纳入符合条件的治疗心肌缺血的中药方剂，对用药频次进行统计，采用软件R3.6.0对纳入方剂进行主成分分析、聚类分析和关联规则分析。选取用药频次≥50的药物，进行网络药理学方法分析。[结果] 共纳入149首方剂包含309味中药，其中黄芪、丹参、三七、川芎四味药用药频率超过50，其中丹参药频最高。在主成分分析、聚类分析和关联规则分析中，以“补气养血，行气活血”的中药为主。运用网络药理学方法分析得到，药物靶点和疾病靶点的共同基因有64个，蛋白互作（PPI）结果显示，白细胞介素-6（IL-6）、血管内皮生长因子A（VEGFA）是互作关系最强的两个靶点，KEGG富集分析结果显示，AGE-RAGE信号通路（AGE-RAGEsignalingpathwayindiabeticcomplications）和动脉粥样硬化流体剪切力信号通路（Fluidshearstressandatherosclerosis）位列前二，GO功能分析结果以细胞因子、炎症因子、和血管功能和结构的改为主。[结论] 中药治疗心肌缺血用药多以“补气养血、行气活血”为主，分子机制多以抗炎或改善血管功能为主。

Abstract:

[Objective] To explore the rules and molecular mechanisms of traditional Chinese medicine prescriptions for treating myocardial ischemia through data mining and network pharmacology. [Methods] The eligible Chinese medicine prescriptions for treating myocardial ischemia were screened and included on the national patent network, and the frequency of medication was counted. The software R3.6.0 was used for principal component analysis,cluster analysis,and association rule analysis. Select drugs with a frequency of ≥ 50 for network pharmacological analysis. [Results] A total of 149 prescriptions including 309 Chinese herbs were included. Among them,the frequency of four medicinal drugs of Radix Astragali,Radix Salviae Miltiorrhizae,Notoginseng Radix,Rhizoma Ligustici Chuanxiong exceeded 50,and Radix Salviae Miltiorrhizae had the highest frequency. In the principal component analysis,cluster analysis,and association rule analysis,the traditional Chinese medicines that "enrich qi and nourish blood,activate qi and activate blood" were mainly used. Using network pharmacological analysis,we found that there were 64 common genes for drug targets and disease targets. Protein-protein interaction(PPI) results showed that interleukin-6(IL-6),vascular endothelial growth factor A(VEGFA) These are the two targets with the strongest interaction. The results of KEGG enrichment analysis showed that the AGE-RAGE signaling pathway in diabetic complications and the Fluid shear stress and atherosclerosis was the top two,and the GO function analysis results are changed to cytokine,inflammatory factor,and vascular function and structure. [Conclusion] The traditional Chinese medicine for the treatment of myocardial ischemia was mainly based on "buying qi and nourishing blood,activating qi and activating blood",and the molecular mechanism is mostly anti-inflammatory or improving vascular function.