基于网络药理学及分子对接分析扶正解毒汤治疗膀胱癌的作用机制  

To Explore the Molecular Mechanisms of Fuzheng Jiedu Decoction in Treatment of Bladder Cancer Based on Network Pharmacology and Molecular Docking Method

作　　者：江前前 杨静 JIANG Qianqian;YANG Jing(The First Clinical Medical College of Anhui University of Traditional Chinese Medicine,Hefei City,Anhui Province 230012;不详)

机构地区：[1]安徽中医药大学第一临床医学院,安徽省合肥市230012 [2]徐州市中医院

出　　处：《医学理论与实践》2024年第3期375-379,共5页The Journal of Medical Theory and Practice

基　　金：徐州市科技局重点研发项目(KC21263);江苏省中医药局面上项目(MS2022064)。

摘　　要：目的:基于网络药理学及分子对接方法分析扶正解毒汤多成分、多靶点、多信号通路治疗膀胱癌的作用机制。方法:通过TCMSP、UniProt数据库,获得符合条件的中药有效成分及靶点。运用GeneCards数据库获得疾病靶点,通过Venny软件获取共同靶点,利用Cytoscape软件构建网络图。基于STRING数据库构建PPI网络,利用Cytoscape软件进行分析。利用Autodock、pymol软件进行分子对接验证。运用DAVID数据库对药物靶点进行GO功能和KEGG通路富集分析,利用R语言进行可视化。结果:槲皮素、山柰酚、β-谷甾醇、豆甾醇可能是扶正解毒汤作用于膀胱癌的核心成分,筛选得到药物作用于疾病的关键靶点有AKT1、TP53、VEGFA等,信号通路主要集中在PI3K-Akt信号通路及MAPK信号通路。结论:扶正解毒汤治疗膀胱癌是通过多成分、多靶点、多信号通路起作用。Objective:To explore the mechanism of a multicomponent,multitarget,and multichannel of Fuzheng Jiedu decoction in treatment of bladder cancer by network pharmacology and molecular docking.Methods:Through TCMSP and UniProt databases,eligible active ingredients and targets of traditional Chinese medicine were obtained.Use the GeneCards database to obtain disease targets,Venny software to obtain common targets,and Cytoscape software to build network diagrams.Build a PPI network based on the STRING database and analyze it using Cytoscape software.Autodock and pymol software were used for molecular docking verification.The DAVID database was used to perform GO function and KEGG pathway enrichment analysis of drug targets,and visualized in R language.Results:Quercetin,kaempferol,β-sitosterol,and stigmasterol may be the core components of Fuzheng Jiedu decoction for bladder cancer,and the key targets of drugs screened for the disease include AKT1,TP53 and VEGFA,and the signaling pathways are mainly concentrated in the PI3K-Akt signaling pathway and the MAPK signaling pathway.Conclusion:Fuzheng Jiedu decoction in the treatment of bladder cancer is based on multi-component,multi-target and multi-signaling pathway.

关 键 词：网络药理学 扶正解毒汤 膀胱癌 作用机制 

分 类 号：R273[医药卫生—中西医结合] R28[医药卫生—中医肿瘤科]