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基于网络药理学和分子对接技术探讨蒙药照山白止咳祛痰的作用机制
Reseach on the mechanism of Rhododendron micranthum in relieving cough and phlegm based on network pharmacology and molecular docking
【摘要】 目目的:采用网络药理学和分子对接技术研究蒙药照山白止咳祛痰的物质基础及作用机制。方法:通过结合文献和TCMSP、Swiss Target Prediction、ETCM、GeneCards、TTD等数据库,筛选出蒙药照山白的药材成分信息、药物和疾病靶点;以Venny 2.1.0交集出蒙药照山白止咳祛痰的作用靶点,将上述潜在靶点通过STRING平台建立蛋白相互作用(PPI)网络图,通过David数据库进行GO富集分析和KEGG通路注释分析;应用Cytoscape 3.8.2软件构建蒙药照山白的活性成分-靶点-信号通路网络图,筛选主要活性成分、核心靶点及信号通路。结果:网络药理学分析显示,蒙药照山白止咳化痰的核心活性成分为槲皮素、山柰酚、oxyphyllenodiol A、eudesm-4(15)-ene-1β,6ɑ-diol、dehydrololiolide,核心靶点为TNF、MMP9、IL6、IL1β等,主要信号通路包括疟疾、甲型流感、细胞因子-细胞因子受体相互作用、冠状病毒病-新冠肺炎、脂质与动脉粥样硬化、流体剪切应力与动脉粥样硬化等,分子对接验证了蒙药照山白止咳祛痰的药效成分与靶点。结论:蒙药照山白通过多成分、多靶点、多通路发挥止咳祛痰作用。
【Abstract】 Objective: Network pharmacology and molecular docking were used to study the mechanism of Mongolian medicine Rhododendron micranthum in treatment of coughing and phlegm accumulation. Methods: TCMSP, Swiss Target Prediction, ETCM, GeneCards and TTD were used to obtain information on medicinal ingredients, targets of drugs and disease.The action targets identified by Venny 2.1.0 intersection of Mongolian medicine Rhododendron micranthum for cough relief and phlegm elimination were established as protein-protein interaction(PPI) network diagrams through STRING platform, GO enrichment analysis, and KEGG pathway annotation analysis through the David database. Cytoscape 3.8.2 software was used to construct the active ingredient target signal pathway network diagram of Mongolian medicine Rhododendron micranthum, and to screen the main active ingredients, core targets, and signal pathways. Results: Network pharmacology analysis shows that the core active ingredients of Mongolian medicine Rhododendron micranthum for relieving cough and resolving phlegm are quercetin,kaempferol, oxyphyllenodiol A, and eudesm-4(15)-ene-1β, 6ɑ diol, dehydropoliolide, the core targets are TNF, MMP9, IL6,IL1β, etc. The main signal pathways include malaria, influenza A, cytokine cytokine receptor interaction, coronavirus disease COVID-19, lipids and atherosclerosis, fluid shear stress and atherosclerosis, etc. The effective ingredients and targets of Mongolian medicine Rhododendron micranthum for relieving cough and eliminating phlegm have been verified by molecular docking. Conclusion: Mongolian medicine Rhododendron micranthum exerts cough relieving and phlegm resolving effects through multiple components, targets, and pathways.
【Key words】 Mongolian medicine; Rhododendron micranthum; network pharmacology; molecular docking; relieve cough and phlegm;
- 【文献出处】 中国民族医药杂志 ,Journal of Medicine & Pharmacy of Chinese Minorities , 编辑部邮箱 ,2025年01期
- 【分类号】R29
- 【下载频次】215