甘肃中医药大学学报2025，Vol.42Issue(2)：42-50,9.DOI:10.16841/j.issn1003-8450.2025.02.09
基于网络药理学和分子对接探讨己椒苈黄丸治疗肝硬化腹水的作用机制
Exploration of the mechanism of Jijiao Lihuang Pill(己椒苈黄丸)in treating ascites in liver cirrhosis based on network pharmacology and molecular docking
摘要
Abstract
Objective To explore the mechanism of action of Jijiao Lihuang Pill(己椒苈黄丸)in the treat-ment of ascites due to liver cirrhosis based on network pharmacology and molecular docking technology.Methods Active components and related targets of Jijiao Lihuang Pill were screened through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),and disease targets related to ascites due to liver cirrhosis were retrieved from GeneCards,OMIM,PharmGKB,and DrugBank databases.The active component-di-sease-target network was constructed using Cytoscape 3.8.0 software,and the protein-protein interaction(PPI)net-work was constructed through the STRING database.Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analyses were performed using R software and related software packages,and molecu-lar docking was conducted for core components and core targets using AutoDock Vina software.Results A total of 36 active components and 125 potential targets of Jijiao Lihuang Pill in the treatment of ascites due to liver cirrhosis were obtained.Topological analysis of the PPI network identified 19 core targets,including core serine/threonine protein kinase 1(AKT1),tumor protein p53(TP53),tumor necrosis factor(TNF),interleukin(IL)-6,and caspase 3(CASP3)et al.GO functional enrichment analysis yielded 2278 biological process(BP)entries,51 cellular compo-nent(CC)entries,and 149 molecular function(MF)entries.KEGG analysis identified 168 signaling pathways.Mo-lecular docking results indicated that the active components of the drug had good affinity for the core targets.Con-clusion Jijiao Lihuang Pill may regulate AKT1,TP53,TNF,IL-6,CASP3,and other targets through active compo-nents such as quercetin,kaempferol,β-sitosterol,isorhamnetin,and aloe-emodin,thereby regulating inflammatory re-sponses,anti-fibrosis,and inducing apoptosis,achieving multi-component,multi-target,and multi-pathway treatment of ascites due to liver cirrhosis.关键词
己椒苈黄丸/肝硬化腹水/网络药理学/分子对接/作用机制Key words
Jijiao Lihuang Pill(己椒苈黄丸)/ascites due to liver cirrhosis/network pharmacology/molecular docking/mechanism of action分类
医药卫生引用本文复制引用
袁超,李金田,张毅,胡蓉,孔思琪,刘瑜..基于网络药理学和分子对接探讨己椒苈黄丸治疗肝硬化腹水的作用机制[J].甘肃中医药大学学报,2025,42(2):42-50,9.基金项目
国家自然科学基金地区项目(82160872) （82160872）
甘肃省教育厅"双一流"科研重点项目(GSSYLXM-05) （GSSYLXM-05）
甘肃省中医药研究中心开放课题(zyzx-2020-zx17) （zyzx-2020-zx17）
2022年度中医学一级学科"岐黄英才"导师专项基金(2022-13). （2022-13）
