基于生物信息学探究名老中医贾跃进治疗失眠症的用药规律和作用机制

Exploration of Medication Rules and Mechanisms of Traditional Chinese Medical Doctor JIA Yuejin for Treating Insomnia Disorder based on Data Mining and Network Pharmacology

目的:基于数据挖掘和网络药理学方法,探究贾跃进名老中医对治疗失眠症的用药规律,并探讨其核心组方的可能机制。方法:将贾老近5年门诊应用中药治疗失眠症的处方导入古今医案云平台V2.2.3,对其进行药物频次、属性统计以及和药物之间的关联、聚类、复杂网络分析,得出核心组方。再将核心组方运用TCMSP等数据库收集核心组方药物得到各药物活性成分相关靶点、失眠症疾病相关靶点并取二者交集;利用CytoscapeV3.8.0及其插件构建疾病-核心组方-药物-成分-靶点和蛋白互作网络,然后进行GO和KEGG通路富集分析,最后选取关键活性成分和关键靶点使用vina分子对接。结果:数据挖掘导入病案200例,相关方剂256首,涉及中药154味,通过药物关联、聚类和复杂网络分析综合得出:陈皮、远志、白术、合欢皮、半夏、柴胡、麦芽、茯苓八味药物为核心组方;分析出核心组方的关键成分为:去氢齿孔酸和1,7-二甲氧基-2,3-亚甲二氧基呫吨酮等;关键靶点有:ATK1、DRD2、ESR1;GO功能富集分析结果主要有:细胞过程、生物调节、信号过程;KEGG通路富集分析结果主要有:神经活性配体-受体相互作用、血清素能突触、细胞间隙连接等;关键成分和关键靶点分子对接多可形成的稳定结合。结论:初步得出贾老中药治疗失眠症的用药规律及其相关多成分、多靶点、多通路作用机制,为临床使用和进一步研究提供参考。

Objective:Based on data mining and network pharmacological methods,to explore Jia Yuejin’s veteran traditional Chinese medicine medication rules for the treatment of insomnia,and to explore the possible mechanism of its core prescriptions.Method:Import JIA’s prescriptions for treating insomnia with traditional Chinese medicine in outpatient clinics for the past 5 years into the ancient and modern medical case cloud platform V2.2.3,and analyze the frequency and attribute statistics of the medicines and the association,clustering and complex network analysis with the medicines.Out of the core team.Then use the core formula to use TCMSP and other databases to collect the core formula drugs to obtain the active ingredient-related targets of each drug and the insomnia disease-related targets,and take the intersection of the two;use CytoscapeV3.8.0 and its plug-in to construct the disease-core formula-drug-Ingredients-The target and protein interaction network,then the GO and KEGG pathway enrichment analysis,and finally the key active ingredients and key targets are selected for vina molecular docking.Results:Data mining imported 200 cases of medical records,256 related prescriptions,involving 154 Chinese medicines.Through drug association,clustering and complex network analysis,the results are:tangerine peel,Polygala,Atractylodes,Albizia bark,Pinellia,Bupleurum,Malt,Poria eight-flavored medicine is the core formula;the key components of the core formula are analyzed:dehydrodentanoic acid and 1,7-dimethoxy-2,3-methylenedioxyxanthone,etc.;key targets Points are:ATK1,DRD2,ESR1;GO function enrichment analysis results mainly include:cell process,biological regulation,signal process;KEGG pathway enrichment analysis results mainly include:neuroactive ligand-receptor interaction,serotonergic process Contacts,intercellular junctions,etc.;key components and key target molecules can form a stable combination.Conclusion:The prescription of JIA traditional Chinese medicine for the treatment of insomnia and its related multi-component,multi-target,multi-path mechanism are preliminarily drawn,which can provide reference for clinical use and further research.