Exploring the mechanism of"Ophiopogon-Schisandra"drug pair in treating myocardial fibrosis based on network pharmacology
檀玉轩 1陈竞纬 2吴中华1
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作者信息
1. 南京中医药大学附属苏州市中医医院心血管内科,江苏苏州 215000
2. 南京中医药大学附属苏州市中医医院教育处,江苏苏州 215000
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摘要
目的 基于网络药理学和分子对接方法探究"麦冬-五味子"药对治疗心肌纤维化的作用机制.方法 运用TCMSP数据库及HERB数据库筛选"麦冬-五味子"药对药物成分和靶点,运用GeneCards数据库、Disgenet数据库、OMIM数据库筛选疾病靶点,获取共同靶点;通过Cytoscape软件构建"药物活性成分-疾病-靶点"网络模型;利用微生信平台进行基因本体论功能富集分析(gene ontology,GO)和京都基因与基因组百科全书富集分析(kyoto encyclopedia of genes and genomes,KEGG);利用STRING数据库构建蛋白互作网络;通过Auto Dock Tools1.5.6 软件进行分子对接验证.结果 "麦冬-五味子"药对中共筛选得到戈米辛M2、五味子酚乙、麦冬二氢高异黄酮B等 85 个活性成分,主要作用于HSP90AA1、AKT1、SRC等 163 个心肌纤维化靶点上,主要富集在脂质与动脉粥样硬化信号通路、糖尿病并发症中的age-rage信号通路、癌症发病途径信号通路等相关通路上.结论 "麦冬-五味子"药对主要通过调控炎性反应、氧化应激、脂质沉积、细胞增殖凋亡等多种生物过程来抑制心肌纤维化.
Abstract
Objective To explore the mechanism of"Ophiopogon-Schisandra"drug pair in treating myocardial fibrosis through network pharmacology and molecular docking methods.Methods The TCMSP database and HERB database were used to screen the drug components and targets of the"Ophiopogon-Schisandra"drug pair.The GeneCards database,Disgene database,and OMIM database were used to screen disease targets and obtain common targets;Cytoscape software was used to construct a"drug active ingredients-diseases-targets"network model;the microbiome platform was used for gene ontology functional enrichment analysis(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG);STRING database was used to construct protein interaction networks;molecular docking validation was performed using Auto Dock Tools1.5.6 software.Results 85 active ingredients,including Gomicin M2,Schisandrin B and ophiopogon dihydrohomoisoflavone B,were screened from"Ophiopogon-Schisandra"drug pair,which mainly acted on 163 myocardial fibrosis targets,such as HSP90AA1,AKT1,SRC,and mainly enriched lipid and atherosclerosis signaling pathways,age rage signaling pathway in diabetes complications pathways in cancer and related pathways.Conclusion"Ophiopogon-Schisandra"drug pair mainly inhibits myocardial fibrosis by regulating various biological processes such as inflammatory response,oxidative stress,lipid deposition,cell proliferation and apoptosis.
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