摘要
目的:通过国家专利数据库归纳分析出中药复方治疗肝硬化腹水的用药特点及配伍规律,借助网络药理学探讨核心药物的作用机制。方法:检索中药复方专利,应用SPSS软件进行关联规则和聚类分析,在线数据库获取活性成分和靶点,Metascape平台寻找富集通路,Autodock Tools软件进行分子对接。结果:共得到110项复方专利,包含456味药物,确定白术、茯苓、黄芪、丹参、茵陈、大腹皮、泽泻为核心中药,挖掘出化合物116个,核心靶点61个;分子对接表明β-谷甾醇、常春藤皂苷元、毛蕊异黄酮、丹参酮ⅡA等有效成分与SRC、TP53、HSP90AA1、STAT3等核心靶点具有较高的结合能力,核心中药作用于PI3K/Akt、乙型肝炎、丙型肝炎等信号通路发挥抗肝硬化腹水作用。结论:中药复方治疗肝硬化腹水总以补气健脾、利水渗湿为主,活血化瘀、调理气机为辅,核心药物治疗肝硬化腹水具有多成分、多靶点、多通路的特点。
Objective:The medication characteristics and compatibility rules of Chinese formulae in the treatment of ascites were summarized and analyzed through the national patent database,and the action mechanisms of the core herbs were explored by using network pharmacology.Methods:The data of Chinese medicinal formulae were retrieved and collated.Association rules and cluster analysis were carried out by SPSS software.Get active ingredients and targets online from the database.The Metascape platform looks for enrichment channels;Autodock Tools software for molecular docking.Results:A total of 110 formulae patents was obtained,including 456 herbs;Atractylodis Macrocephalae Rhizoma,Poria,Astragali Radix,Salviae Miltiorrhizae Radix et Rhizoma,Artemisiae Scopariae Herba,Arecae Semen,and Alismatis Rhizoma were confirmed to be the core herbs for the treatment of cirrhosis ascites.A total of 116 compounds and 61 core targets have been excavated.Molecular docking showed that the effective components such asβ-sitosterol,hederagenin,calycosin,and tanshinoneⅡA had high binding ability to SRC,TP53,HSP90AA1,STAT3,and other core targets.The core herbs act on PI3K/Akt,hepatitis B,hepatitis C,and other signaling pathways to play an anti-ascites role.Conclusion:The treatment of cirrhosis ascites with Chinese formulae is mainly based on tonifying qi,invigorating spleen,draining water,and draining dampness,supplemented by activating blood,resolving stasis,and regulating qi movement.The core herbs for the treatment of cirrhosis ascites have the characteristics of multi-components,multi-targets,and multi-pathways.
作者
徐喆
周会芳
龚博炀
王莹
赵泽宇
边育红
XU Zhe;ZHOU Hui-fang;GONG Bo-yang;BIAN Yu-hong(School of Integrative Medicine of Tianjin University of Traditional Chinese medicine(Tianjin,301617),China)
出处
《中西医结合肝病杂志》
CAS
2023年第7期634-639,共6页
Chinese Journal of Integrated Traditional and Western Medicine on Liver Diseases
基金
国家重点研发计划(No.2018YFC1706506)
天津中医药大学2020年研究生科研创新基金(No.YJSKC20202010)
天津市公共卫生重大科技专项项目(No.21ZXGWSY00090)
天津中医药大学中西医结合学院2020年研究生创新基金(No.ZXYCXLX202006)。
关键词
肝硬化腹水
中药复方
数据挖掘
配伍规律
网络药理学
cirrhosis ascites
Chinese medicinal formula
data mining
law of compatibility
network pharmacology