基于数据挖掘和网络药理学探讨活血祛瘀法治疗代谢相关脂肪性肝病用药规律及作用机制  

Exploration on the Medication Law and Mechanism of Huoxue Huayu Method in the Treatment of MAFLD Based on Data Mining and Network Pharmacology

作　　者：罗维军 吴驻林 张维晴 赖铭波 陈舒影 王婷婷 王忠武 LUO Weijun;WU Zhulin;ZHANG Weiqing;LAI Mingbo;CHEN Shuying;WANG Tingting;WANG Zhongwu(Affiliated Longhua People’s Hospital,Southern Medical University,Longhua People’s Hospital,Shenzhen 518109,China)

机构地区：[1]南方医科大学附属龙华人民医院(深圳市龙华区人民医院),广东深圳518109

出　　处：《中国中医药图书情报杂志》2024年第5期69-75,共7页Chinese Journal of Library and Information Science for Traditional Chinese Medicine

基　　金：广东省中医药局科研项目(20201304);深圳市龙华区医疗卫生机构区级科研项目(2020104、2023023)。

摘　　要：目的基于数据挖掘和网络药理学探讨活血祛瘀法治疗代谢相关脂肪性肝病(MAFLD)的用药规律及代表药物的作用机制。方法检索中国知识资源总库(CNKI)、中国学术期刊数据库(万方数据)、中文科技期刊数据库(VIP)、中国生物医学文献数据库(CBM)建库至2023年6月1日活血祛瘀法治疗MAFLD的随机对照试验,利用古今医案云平台V2.3.7进行中药频次、关联规则及聚类分析。选取核心中药丹参进行网络药理学分析,基于TCMSP数据库筛选活性成分与靶点,检索GeneCards、OMIM等数据库获取疾病靶点,预测丹参治疗疾病的潜在作用基因,采用R语言4.0.3、Cytoscape3.7.1与STRING数据库进行通路分析、构建网络图,采用AutoDuck Vina 1.1.2和PyMOL2.3.0软件进行分子对接验证。结果共纳入处方126首,涉及中药182味,丹参为使用频次最高的中药;用药药性以温、微寒、寒、平、微温为主,药味以辛、甘、苦为主,归经以肝经、脾经、肺经、胃经为主;活血祛瘀法核心配伍药物为丹参、山楂、泽泻、柴胡等,聚类分析得到4个聚类方。选取丹参作为代表药进行网络药理学分析。丹参存在65个活性成分,并可能通过RELA、EGFR、VEGFA等关键靶点及脂质与动脉粥样硬化、PI3K-Akt等通路发挥治疗MAFLD的作用。预测成分与对应靶点蛋白结合性好。结论本研究总结了活血祛瘀方药治疗MAFLD的配伍规律,其代表药丹参可通过多靶点、多通路治疗MAFLD。Objective To explore the medication law and mechanism of representative drugs of Huoxue Huayu(promoting blood circulation and removing blood stasis)Method in the treatment of metabolic-related fatty liver disease(MAFLD)based on data mining and network pharmacology.Methods Randomized controlled trials(RCTs)of Huoxue Huayu Method for the treatment of MAFLD were retrieved from CNKI,Wanfang Data,VIP and CBM from the establishment of the databases to June 1,2023.The frequency of Chinese materia medica,association rules,and clustering analysis were performed using the ancient and modern medical case cloud platform V2.3.7.The core Chinese materia medica-Salviea Miltiorrhizae Radix et Rhizoma was selected for network pharmacology analysis.The active components and targets were screened based on TCMSP database.The disease targets were obtained by searching GeneCards,OMIM and other databases,and the potential genes of Salviea Miltiorrhizae Radix et Rhizoma in the treatment were predicted.R language 4.0.3,Cytoscape 3.7.1 and STRING database were used for pathway analysis and network diagram construction.AutoDuck Vina 1.1.2 and PyMOL 2.3.0 software were used for molecular docking verification.Results A total of 126 prescriptions were included,involving 182 kinds of Chinese materia medica,and Salviea Miltiorrhizae Radix et Rhizoma was the most frequently used Chinese materia medica.The medicinal properties were mainly warm,slightly cold,cold,neutral and slightly warm.The medicinal tastes were mainly pungent,sweet and bitter.The meridian tropism was mainly liver meridian,spleen meridian,lung meridian and stomach meridian.The core compatibility drugs of Huoxue Quyu Method were Salviae Miltiorrhizae Radix et Rhizoma,Crataegi Fructus,Alismatis Rhizoma,Bupleuri Radix,etc.Four clustering prescriptions were obtained by clustering analysis.Salviae Miltiorrhizae Radix et Rhizoma was selected as the representative drug for network pharmacology analysis.The results suggested that there were 65 bioactive components in it,and it may play

关 键 词：活血祛瘀 丹参 脂肪肝 数据挖掘 网络药理学 

分 类 号：R259.755[医药卫生—中西医结合]