西华大学学报（自然科学版）2024，Vol.43Issue(2)：93-106,14.DOI:10.12198/j.issn.1673-159X.4741
基于网络药理学和生物信息学探讨满药复方木鸡颗粒治疗肝癌的分子机制
Study on Mechanism of Compound Muji Granule of Manchu Medicine in the Treatment of Liver Cancer Based on Network Pharmacology and Bioinformatics
摘要
Abstract
Methods of network pharmacology and bioinformatics were utilized to predict the mechan-ism of compound Muji granule of Manchu medicine in the treatment of liver cancer.The active ingredients and corresponding targets of compound Muji granule were collected by TCMSP and Swiss Target Predic-tion database.The related targets of liver cancer were screened through the GEO database.Venny 2.1 on-line software was used to obtain the common targets of drugs-disease,and then the"drug-compound-target-disease"network diagram was constructed by using the software Cytoscape 3.8.2.The STRING database was used to draw the protein-protein interaction network,and the perform GO function and KEGG path-way enrichment analysis were carried out through DAVID database.The relationship between the expres-sion of key target genes and the survival curve was analyzed by using the Kaplan Meier-Plotter database,and the AutoDock platform was applied in verifying the molecular docking of active components and core protein targets.A total of 37 active components were obtained from compound Muji granule,and 57 com-mon targets were screened,involving 98 biological processes,17 cellular components,37 molecular func-tions,and 15 signal pathways.The results of survival curve analysis show that the expression levels of ESR1,CYP3A4,and G6PD were related to the survival time of liver cancer patients.It was indicated that 6 active components and 6 key targets had a certain degree of binding through molecular docking.The active compounds in compound Muji granule,subprogenin C,naringenin,beta-sitosterol and wogonin,can act on targets such as ESR1,CYP3A4 and G6PD,which may play a therapeutic role in liver cancer by regulating p53,pentose phosphate,MAPK and other signaling pathways.关键词
复方木鸡颗粒/肝癌/网络药理学/生物信息学/分子对接/作用机制Key words
compound Muji granule/liver cancer/network pharmacology/bioinformatics/molecular docking/mechanism of action分类
医药卫生引用本文复制引用
柯昌虎,严慧,陈春晓,李志浩,朱军,李鹏..基于网络药理学和生物信息学探讨满药复方木鸡颗粒治疗肝癌的分子机制[J].西华大学学报（自然科学版）,2024,43(2):93-106,14.基金项目
湖北省卫生健康委面上项目(WJ2021M062) （WJ2021M062）
"十四五"湖北省高等学校优势特色学科群(生物与医药)资助项目(2022BMXKQT6) （生物与医药）
武当特色中药研究湖北省重点实验室开放课题(WDCM2022012) （WDCM2022012）
十堰市科技局科研项目(22Y79). （22Y79）
