基于数据挖掘及整合药理学探讨中药复方治疗前庭性偏头痛的核心中药及机制

Core Traditional Chinese Medicines and Mechanism of Traditional Chinese Medicine Compound Treatment of Vestibular Migraine Based on Data Mining and Network Pharmacology

基于数据挖掘及整合药理学技术,分析中药(TCM)复方治疗前庭性偏头痛(vestibular migraine,VM)的用药规律,探讨核心中药治疗VM的作用机制。以中国知网、万方数据库、维普数据库为数据来源,将符合要求的文献进行筛选和数据提取,分析中药复方治疗VM的性味、归经、功效,利用IBM SPSS Model 18.0和IBM SPSS Statistics 21进行关联规则、聚类和复杂网络分析,获得中药复方治疗VM的核心中药。应用TCMSP和Swiss Target Prediction检索核心中药的有效成分及靶点;利用OMIM、Geencard数据库获得VM疾病靶点。利用Venny2.1.0获得二者交集靶点;利用STRING和HIplot数据库进行蛋白互作(PPI)及基因本体(GO)与基因组百科全书(KEGG)富集分析,利用AutoDockTools1.5.7和PyMOL进行分子对接验证及可视化处理。最终筛选出文献27篇,25个中药复方,78味中药,核心中药为甘草、半夏、川芎、白术、天麻,获得胡萝卜苷、甘草素、天麻醚苷、β-谷甾醇、天麻素等121个活性成分,可作用在STAT3、SRC、MAPK3、PIK3CA等203个与VM相关蛋白靶点上;KEGG富集分析得到MAPK、PI3K-Akt、cAMP信号通路等267条信号通路,涉及炎症反应、能量代谢、信号传导等过程的调控,分子对接验证表明,核心中药的活性成分均与关键靶点蛋白具有较好结合。研究发现,中药复方治疗VM的核心中药为甘草、半夏、川芎、白术、天麻,其重在熄风、化痰、祛瘀、补虚。其核心药物的关键成分可能是通过调控MAPK、PI3K-Akt、cAMP等信号通路发挥协同治疗VM的作用。

The medication rules of traditional Chinese medicine(TCM)prescription for the treatment of vestibular migraine(VM)based on data mining and network pharmacology were studied to explore the mechanism of action of core Chinese medicine in treating VM.The database of CNKI,Wangfang and VIP were used to screen literatures,extract data,analyze the taste,meridian tropism and efficacy of traditional Chinese medicine in the treatment of VM.IBMSPSS Model 18.0 and IBM SPSS Statistics 21 were used to for association rules,clustering and complex network analysis to obtain the core traditional Chinese medicine for the treatment of VM.The active components and targets of core traditional Chinese medicine were searched by traditional chinese medicine systems pharmacology(TCMSP)and Swiss Target Prediction,and the disease targets of VM were obtained by Online Mendelian Inheritance in Man(OMIM)and Geencard database.The intersection targets were obtained by Venny2.1.0,protein interaction(PPI)and gene ontology(GO)and genome encyclopedia(KEGG)enrichment analysis were carried out by STRING and HIplot database,molecular docking verification and visualization were carried out by AutoDockTools1.5.7 and PyMOL.27 literatures,25 compound prescriptions of traditional Chinese medicine and 78 traditional Chinese medicines were selected.the core traditional Chinese medicines were licorice,Pinellia ternata,Rhizoma Chuanxiong,Atractylodes macrocephala Koidz and Gastrodia elata.121 active components such as daucosterol,glycyrrhizin,gastrodin,β-sitosterol and gastrodin were obtained,which can act on 203 VM-related protein targets such as STAT3,SRC,MAPK3 and PIK3CA.KEGG enrichment analysis showed that there were 267 signal pathways such as MAPK,PI3K-Akt and cAMP signal pathways,which were involved in the regulation of inflammatory reaction,energy metabolism and signal transduction.Molecular docking verification shows that the active components of the core traditional Chinese medicine has good binding to the key target proteins.Based on data mining and network pharmacology research,it is found that licorice,Pinellia ternata,Ligusticum chuanxiong,Atractylodes macrocephala and Gastrodia elata,which is the modified prescription of Banxia Ma Baizhu decoction,is the core traditional Chinese medicine in the treatment of VM.The key components of its core drugs may play a synergistic role in the treatment of VM by regulating MAPK,PI3K-Akt,cAMP and other signal pathways.