中药与临床2025，Vol.16Issue(4)：44-51,8.
基于网络药理学与分子对接探讨半枝莲-白花蛇舌草治疗结直肠癌的潜在机制
Deciphering the potential mechanism of Scutellariae Barbatae Herba-Hedyotis Diffusa in treating colorectal cancer:a comprehensive exploration through network pharmacology and molecular docking analysis
摘要
Abstract
Objective:Through the combination of network pharmacology and molecular docking,the efficacy and mechanism of Scutellariae Barbatae Herba-Hedyotis Diffusa in the treatment of colorectal cancer were studied in depth.Methods:By searching multiple databases,we predicted the active ingredients of Scutellariae Barbatae Herba-Hedyotis Diffusa,and screened out the potential targets of Scutellariae Barbatae Herba-Hedyotis Diffusa that may have therapeutic effects on colorectal cancer.PPI analysis,Cytos-cape3.10.2 visualization and topological analysis were carried out on the intersection target of'Scutellariae Barbatae Herba-Hedyotis Diffusa'and colorectal cancer in the String database to obtain the key target of Scutellariae Barbatae Herba-Hedyotis Diffusa in the treatment of colorectal cancer.The key targets were imported into the DAVID database to obtain the GO and KEGG enrichment analysis results of Scutellariae Barbatae Herba-Hedyotis Diffusa in the treatment of colorectal cancer,and the key components and targets were molecularly docked.Results:A total of 104 targets of drug and disease intersection were obtained after screening and de-duplication.The results of GO and KEGG enrichment analysis showed that the treatment of colorectal cancer by Scutellariae Barbatae Herba-Hedyotis Diffusa was related to biological processes such as phosphorylation and multicellular biological development,and its mechanism was to regulate PI3K-Akt signaling pathway and Ras signaling pathway.The results of molecular docking showed that the binding energy of Scutellariae Barbatae Herba-Hedyotis Diffusa to the core target of colorectal cancer was less than-5 kcal·mol-1.Conclusion:The components such as baicalin,quercetin,luteolin,and wogonin in Scutellariae Barbatae Herba-Hedyotis Diffusa in-teract with targets such as AKT1,EGFR and BCL2,and treat colorectal cancer by regulating PI3K-Akt and Ras signaling pathways.关键词
网络药理学/半枝莲/白花蛇舌草/分子对接/结直肠癌Key words
Network pharmacology/Scutellariae Barbatae Herba/Hedyotis Diffusa/molecular docking/colorectal cancer分类
医药卫生引用本文复制引用
曾沙,王隽,高景莘,李萍,赵晖..基于网络药理学与分子对接探讨半枝莲-白花蛇舌草治疗结直肠癌的潜在机制[J].中药与临床,2025,16(4):44-51,8.基金项目
中国博士后面上项目(2023M741087) （2023M741087）
河南省科协青年人才托举工程(2024HYTP050) （2024HYTP050）
