目的 基于网络药理学和分子对接法分析麻仁丸治疗便秘的作用机制，为经典中成药的临床应用提供参考。方法 通过中药系统药理学数据库和分析平台(TCMSP)获取火麻仁、苦杏仁、大黄、枳实、厚朴、白芍的主要化学成分及其靶点，根据药物代谢动力学(ADME)筛选中药活性组分;通过基因信息数据库(Gencards，OMIM and DRUGBANK)获取便秘主要靶点，利用String数据库分析蛋白间的互作关系，构建PPI网络并挖掘核心调控基因，对关键靶点进行富集分析(GO和KEGG)。采用Cytoscape3。8。2软件构建"麻仁丸成分-便秘-通路"网络，最后通过Auto Dock进行分子对接验证。结果 麻仁丸治疗便秘的核心活性成分为山奈酚、川陈皮素、芦荟大黄素等，核心靶点有AKT1、IL6、VEGFA、TNF等，治疗便秘的生物学通路主要作用于肿瘤通路、乙肝通路、丙肝通路、AGE-RAGE信号通路以及PI3K/Akt信号通路等。结论 本研究初步揭示了麻仁丸治疗便秘的多成分、多靶点、多通路的作用机制，为麻仁丸的临床开发利用提供基础。
Study on the mechanism of Maren Pill in treating constipation based on network pharmacology
Objective Based on network pharmacology and molecular docking method,the mechanism of Maren Pill in treating constipation was analyzed to provide reference for the clinical application of classical Chinese patent medicine.Methods The main chemical constituents and targets of Cannabis Sativa L.,Amygdalus Communis Vas,Radix Rhei Et Rhizome,Aurantii Fructus Immaturus,Magnolia Officinalis Rehd Et Wils.,Paeoniae Radix Alba were obtained by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).The active components were screened according to Pharmacokinetic(ADME).The main targets of constipation were obtained through gene information database(Gencards,OMIM and DRUGBANK),and the interaction between proteins was analyzed using String database.PPI network was constructed and core regulatory genes were mined.Enrichment analysis(GO and KEGG)of key targets was performed.Cytoscape3.8.2 software was used to construct the"maren pill component-constipation-pathway"network,and Auto Dock was used for molecular docking verification.Results The core active ingredients of Maren Pill for treating constipation were kaempferol,kaempferin,aloe emodin,etc.the core targets were AKT1,IL6,VEGFA,TNF,etc.the biological pathway of Maren Pill for treating constipation mainly acted on tumor pathway,hepatitis B pathway,hepatitis C pathway,AGE-RAGE signaling pathway,PI3k/Akt signaling pathway,etc.Conclusion This study preliminarily reveals the mechanism of multi-component,multi-target and multi-pathway of Maren Pill for constipation providing a reference for the clinical expansion and application of Maren Pill.
万方数据
维普
