摘要
目的:运用网络药理学和分子对接技术探讨甘草多糖治疗慢性阻塞性肺疾病(Chronic Obstructive Pulmonary Disease,COPD)的作用机制。方法:检索文献获得甘草多糖的主要成分,通过成分靶点数据库(SwissTargetPrediction)获取甘草多糖的潜在靶点;利用在线人类孟德尔遗传数据库(OMIM)、药物数据库(DrugBank)等数据库获取疾病靶点;将COPD靶点与甘草多糖作用靶点取交集,获取共有靶点;通过STRING数据库将共有靶点构建蛋白质-蛋白质相互作用网络。使用Cytoscape3.9.0构建甘草多糖“成分-靶点-疾病”网络;利用DAVID平台工具对共有靶点进行基因本体论(GO)富集分析及京都基因与基因组百科全书(KEGG)通路富集分析;运用AutoDock Vina 1.2及PyMol软件进行分子对接验证。结果:甘草多糖的主要化学成分为半乳糖、鼠李糖与葡聚糖,甘草多糖与COPD的共有靶点为173个,可能作用于非受体酪氨酸蛋白激酶、表皮生长因子受体(Epidermal Growth Factor Receptor,EGFR)等核心靶点;通过磷脂酰肌醇3激酶(Phosphatidylinositol 3 kinase,PI3K)/蛋白激酶B(Protein Kinase B,Akt)信号通路等多条信号通路发挥治疗COPD的作用。分子对接结果提示葡聚糖和非受体酪氨酸蛋白激酶、信号转导因子和转录激活因子3(Signal Transducer and Activator of Transcription 3,STAT3)、基质金属蛋白酶9(Matrix Metalloproteinase 9,MMP9)、酪氨酸激酶受体2(Receptor Tyrosine Kinases 2,ERBB2)对接效果良好。结论:甘草多糖治疗COPD的作用机制主要体现在炎症反应、信号转导等方面,为其后续临床应用提供了科学依据。
Objective:To investigate the action mechanism of glycyrrhiza polysaccharide(GPS)in the treatment of chronic obstructive pulmonary disease(COPD)by network pharmacology and molecular docking technology.Methods:The main components of GPS were obtained by searching literature.The potential targets of GPS were obtained through the component target database(SwissTargetPrediction).The online Mendelian genetics database,drug database and so on were used to obtain disease targets.The COPD targets and GPS targets were intersected to obtain common targets.A protein-protein interaction network of common targets was constructed by STRING database.Cytoscape 3.9.0 was used to construct a component-target-disease network of GPS.The GO enrichment analysis and KEGG pathway enrichment analysis of common targets were performed by DAVID platform tools.AutoDock Vina 1.2 and PyMol software were used for the molecular docking verification.Results:The main chemical components of GPS were galactose,rhamnose and glucan.There were 173 common targets of GPS and COPD,which may act on non-receptor tyrosine kinase(SRC),epidermal growth factor receptor(EGFR)and other core targets,and play a role in the treatment of COPD through PI3K/Akt signaling pathway and other signaling pathways.The results of molecular docking indicated that the docking effect of dextran and SRC,STAT3,MMP9 and ERBB2 was good.Conclusion:The action mechanism of glycyrrhiza polysaccharide in the treatment of COPD is mainly reflected in the inflammatory response and signal transduction,which provides a scientific basis for its clinical application.
出处
《中医临床研究》
2023年第23期1-8,共8页
Clinical Journal Of Chinese Medicine
基金
甘肃省重点研发计划-社发类项目(Z1YF1FA061)
全国西学中骨干人才培训项目(国中医药办人教函[2018]223号)
甘肃省自然科学基金(21JR11RA209)。
关键词
甘草多糖
慢性阻塞性肺疾病
网络药理学
分子对接
Glycyrrhiza polysaccharide
Chronic obstructive pulmonary disease
Network pharmacology
Molecular docking
作者简介
魏文海(1995-),甘肃兰州人,硕士研究生,研究方向为中西医结合防治肺系疾病的研究;通讯作者:李兴芳(1975-),甘肃兰州人,硕士,主任医师,研究方向为中西医结合防治肺系疾病的研究。
