中医临床研究2025，Vol.17Issue(12)：15-22,8.DOI:10.3969/j.issn.1674-7860.2025.12.003
基于网络药理学与分子对接探讨乌贝散及左金丸治疗胃溃疡"同病异治"的作用机制
Exploration on the action mechanism of different treatment for the same disease with Wubei San and Zuojin Wan in treating gastric ulcer based on network pharmacology and molecular docking
摘要
Abstract
Objective:To explore the mechanism of Wubei San(乌贝散)and Zuojin Wan(左金丸)in the treatment of gastric ulcer(GU)based on network pharmacology and molecular docking.Methods:The active ingredients and potential targets of Wubei San and Zuojin Wan were screened through TCMSP,Herb,PubChem,SwissADME and Swiss Target Prediction databases,and relevant literature review was an auxiliary means of screening.The GU potential targets were obtained from GeneCards and OMIM databases.After intersection,the drug-active ingredient-disease target network was constructed by Cytoscape 3.9.1.The protein-protein interaction(PPI)network of intersection targets was constructed by STRING.After topological analysis,GO and KEGG enrichment analyses were performed by DAVID database.Finally,AutoDockTools and PyMOL software were used for molecular docking and visualization.Results:The network analysis results indicated that both prescriptions might act on the PI3K-Akt and TNF signaling pathways through core targets such as EGFR,PPARG,BCL2,PTGS2,CASP3,etc.,promoting the repair of gastric mucosa cells and inhibiting the release of inflammatory factors,so as to exert the curative effect in curing GU.The specific anti-ulcer mechanism of Wubei San was to accelerate gastric mucosal repair by activating MAPK cascade reaction and promoting cell growth and proliferation through AKT1,TNF,IL-6 and other targets.The unique anti-ulcer mechanism of Zuojin Wan was to reduce inflammation by inhibiting IL-17 signaling pathway through CASP1,MAPK14 and other targets.Conclusion:Both Wubei San and Zuojin Wan show significant efficacy in the treatment of GU,but because of the difference in the prescription,there are both similarities and differences in the targets for anti-gastric ulcers.关键词
乌贝散/左金丸/胃溃疡/网络药理学/分子对接Key words
Wubei San/Zuojin Wan/Gastric ulcer/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
李小敏,吴长亮,陈松,吴奕霖,蓝小梅,覃素萍..基于网络药理学与分子对接探讨乌贝散及左金丸治疗胃溃疡"同病异治"的作用机制[J].中医临床研究,2025,17(12):15-22,8.基金项目
黄瑞松全国名老中医药专家传承工作室(国中医药人教函[2022]75号) （国中医药人教函[2022]75号）
广西医学遗传与基金组学研究重点实验室开放课题(GXKMGG202202) （GXKMGG202202）
广西国际壮医医院自然科学研究项目(2023GZYZJT001) （2023GZYZJT001）
广西壮族自治区中医药管理局自筹经费科研课题(GXZYA20240200) （GXZYA20240200）
广西中医药多学科交叉创新团队(GZKJ2311). （GZKJ2311）
