基于国家专利数据库和网络药理学探讨中药复方治疗肝硬化腹水的配伍规律及作用机制

Study on the compatibility rules and action mechanism of Chinese herbal formula in the treatment of cirrhosis ascites based on national patent database and network pharmacology analysis

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.