基于数据挖掘和网络药理学探讨脑血栓用药规律及其机理  

Medication rule and mechanism of cerebral thrombosis based on data mining and network pharmacology

作　　者：王博龙[1] 王彬 武亭宇 黄志武 裴志斐 WANG Bolong;WANG Bin;WU Tingyu;HUANG Zhiwu;PEI Zhifei(School of Chemical and Biological Engineering,Yichun University,Yichun 336000,China;Yichun Second People's Hospital,Yichun 336000,China)

机构地区：[1]宜春学院化学与生物工程学院,宜春336000 [2]宜春市第二人民医院,宜春336000

出　　处：《中南民族大学学报（自然科学版）》2023年第2期166-173,共8页Journal of South-Central University for Nationalities：Natural Science Edition

基　　金：江西省教育厅科技资助项目(GJJ12596)。

摘　　要：目的:挖掘中药治疗脑血栓的用药规律并分析核心药对的作用机制.方法:搜索维普、万方、知网等数据库,筛选脑血栓治疗方剂并建立数据库,借助IBM SPSS Statistics 20进行用药频次分析和因子分析,运用Clementine 12.0挖掘中药之间的关联规则及核心药对,利用TCMSP、STRING、DAVID数据库和Cytoscape软件等分析核心药对抗脑血栓的成分、靶点及通路;通过Metascape数据库和分子对接技术进行靶点模块分析及对接验证.结果:纳入方剂181首,涉及的260味中药以温性、寒性以及苦味、甘味为主,多归肝经,因子分析中提取5个公因子.关联规则显示桃仁-红花的置信度最高,其19个活性成分对应127个靶基因,其中IL6、MAPK1、JUN、TP53等是关键靶点.关键靶点参与RNA聚合酶II启动子、DNA转录的正调控等生物过程;调控Toll样受体、MAPK、ErbB等信号通路;与关键活性成分槲皮素、木犀草素的亲和力高.结论:中药治疗脑血栓多以甘温、苦寒且归肝经中药为主,组方常由补阳还五汤、六君子汤、芍药甘草汤等加减化裁而成,桃仁-红花是其核心药对.Objective:To explore the medication rules of traditional Chinese medicine in the treatment of cerebral thrombosis and analyze the mechanism of the action of core drug pairs.Methods:Database was established by searching databases such as VIP,Wanfang,CNKI and screening therapeutic prescriptions for cerebral thrombosis.Medication frequency analysis and factor analysis were performed with IBM SPSS Statistics 20.Association rules and core drug pairs of traditional Chinese medicine were explored by Clementine 12.0.The components,targets and pathways of core drugs against cerebral thrombosis were analyzed by TCMSP,STRING,DAVID database and Cytoscape software.Target module was analyzed and verified by Metascape database and molecular docking technology.Results:181 prescriptions,in which 260 Chinese herbs that were mostly of warm,cold,bitter,or sweet nature and attributed to liver meridian were analyzed,and five common factors were extracted from factor analysis.The association rules showed that the confidence of peach kernel-safflower was the highest,and 19 active components were corresponded to 127 target genes,among which IL6,Mapk1,Jun and TP53 were the key targets.The key targets were involved in the positive regulation of RNA polymerase II promoter and DNA transcription,regulated toll like receptor,MAPK and ErbB signaling pathways,and had high affinity with quercetin and luteolin.Conclusion:Traditional Chinese medicines which are sweet,warm,bitter,or cold in nature and mostly attributed to liver meridian can be used to treat cerebral thrombosis.The prescriptions are usually made by adding and subtracting Buyang Huanwu Decoction,Liu Junzi Decoction,Peony and Glycyrhiza Decoction,with peach kernel-safflower as the core drug pair.

关 键 词：数据挖掘 脑血栓 网络药理学 关联规则 分子对接 

分 类 号：R285[医药卫生—中药学]