实用中西医结合临床2025，Vol.25Issue(3)：1-8,8.DOI:10.13638/j.issn.1671-4040.2025.03.001
基于网络药理学及分子对接的黄芩-苦参药对治疗结肠癌的作用机制研究
Mechanism of Scutellaria Baicalensis Georgi-Sophorae Flavescens Aiton Herbal Pair in the Treatment of Colon Cancer Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective This study is based on network pharmacology and molecular docking methods,explores the pharmacological mechanisms of scutellaria baicalensis georg-sophora flavescens aiton in the treatment of colon cancer,providing a theoretical basis for drug mechanism research.Methods The main chemical components and their action targets of scutellaria baicalensis georg-sophora flavescens aiton were obtained through the TCMSP platform;colonl cancer targets were identified through the Gene Cards database;protein-protein interaction(PPI)analysis was conducted through the STRING database,and a PPI network diagram was constructed;the GO and KEGG enrichment analysis of the targets were performed by the Metascape database,and the Cytoscape software was adopted to establish the network diagram of"scutellaria baicalensis georg,sophora flavescens aiton-colon cancer components-targets-pathways",which is followed by topological analysis of the network diagram.The crystal structures of the target proteins obtained from the PDB database were imported into Autodock software for molecular docking analysis between the active components and target proteins.Results Through database screening,47 active components and 167 protein targets of scutellaria baicalensis georg-sophora flavescens aiton were obtained,among which 124 potential targets were related to colon cancer.The core active ingredients of scutellaria baicalensis georg-sophora flavescens aiton in the treatment of colon cancer include luteolin,baicalein,formononetin,β-sitosterol,and stigmasterol,etc.These components exerted their anti-colon cancer effects by regulating key disease targets such as TP53,JUN,AKT1,MAPK1,and MAPK14.The GO functional analysis revealed 2 019 entries,and the KEGG pathway analysis presented 330 entries.The results of GO and KEGG enrichment analysis suggested that scutellaria baicalensis georg-sophora flavescens aiton might treat colon cancer by targeting the PI3K/AKT signaling pathway.Molecular docking results demonstrated that the active ingredients of scutellaria baicalensis georg-sophora flavescens aiton exhibit good binding affinity with key targets of colon cancer.Conclusion This study preliminarily verified the mechanism of action of scutellaria baicalensis georgi and sophora flavescens aiton in the treatment of colon cancer,and provided a theoretical basis for the mechanism research and clinical application of scutellaria baicalensis georgi and sophora flavescens aiton.关键词
结肠癌/黄芩/苦参/网络药理学/分子对接/靶点预测Key words
Colon cancer/Scutellaria baicalensis georgi/Sophora flavescens aiton/Network pharmacology/Molecular docking/Targets prediction分类
医药卫生引用本文复制引用
黄闻柏,李鑫煜,邢晨熙,陈海滔,姚庆华,姜靖雯..基于网络药理学及分子对接的黄芩-苦参药对治疗结肠癌的作用机制研究[J].实用中西医结合临床,2025,25(3):1-8,8.基金项目
海南省自然科学基金(高层次人才项目)项目(编号:819QN358) （高层次人才项目）
海南省自然科学基金(面上项目)项目(编号:822RC847) （面上项目）
海南省卫生健康科技创新联合项目(编号:WSJK2024MS178) （编号:WSJK2024MS178）
