贾跃进常用治疗失眠障碍药对的作用机制分析

Explore the Mechanism of JIA Yuejin’s Commonly used Drug-pairs for Treating Insomnia Disorders based on the Network Pharmacology

目的:利用网络药理学和分子对接的方法分析贾跃进老中医常用治疗失眠障碍药对的活性成分、靶点及通路,以探讨其作用机制。方法:利用TCMSP数据库及中国知网,获取各药对中药物的活性成分及靶点;在GeneCards等数据库中检索疾病相关靶点,获得药对-疾病交集靶点,并使用CytoscapeV3.6.1软件、String数据库及Metascape平台得出疾病-药对-药物-成分-靶点网络、蛋白互作网络和GO和KEGG通路富集分析;筛选两个网络中的核心成分与核心靶点进行分子对接。结果:得到菖蒲-郁金、丹参-元胡、黄连-栀子、酸枣仁-柏子仁、百合-地黄活性成分各13、93、24、17、10种,对应靶点各351、230、176、166、166个,与失眠障碍交集靶点分别为:89、67、49、44、52个,核心成分分别有7、5、5、2、3种,核心靶点分别有6、7、6、4、6个;GO富集分析分别得到1296、1062、828、690、755条结果,KEGG通路富集分析分别得到89、49、63、38、41条通路,从而得出主要通路为神经活性配体-受体相互作用;分子对接结果表明所有核心靶点与核心成分均能形成稳定结合。结论:初步揭示了贾跃进老中医治疗失眠障碍常用药对的作用机制,为进一步研究和临床应用提供一定思路和参考。

Objective:Use network pharmacology and molecular docking methods to analyze the active ingredients,targets and pathways of JIAYuejin’s traditional Chinese medicine therapy for insomnia,in order to explore its mechanism of action.Methods:Use the TCMSP database and CNKI to obtain the active ingredients and targets of each drug pair of Chinese medicines;search for disease-related targets in databases such as GeneCards to obtain drug pair-disease intersection targets,and use Cytoscape V3.6.1 software,String database and Metascape platform obtained disease-drug pair-drug-component-target network,protein interaction network,and GO and KEGG pathway enrichment analysis;screening the core components in the two networks for molecular docking with core targets.Result:There are 13,93,24,17,10 active components of Acorus calamus-turmeric,Salvia miltiorrhiza-Yuanhu,Coptis chinensis-Gardenia,Suanzaoren-Boziren,Lily-rehmannia glutinosa,corresponding to 351,230,176 respectively.There are 89,67,49,44,and 52 targets that intersect insomnia disorder.The core components are 7,5,5,2,and 3,and the core targets are 6,7,and 6,respectively.6,4,6;GO enrichment analysis yielded 1296,1062,828,690,755 results,respectively,KEGG pathway enrichment analysis yielded 89,49,63,38,41 pathways,and the main pathway was Neuroactive ligand-receptor interaction;molecular docking results show that all core targets and core components can form stable binding.Conclusion:It has initially revealed the mechanism of action of JIA Yuejin’s traditional Chinese medicine treatment of insomnia disorder,and provides certain ideas and references for further research and clinical application.