中医康复2025，Vol.2Issue(6)：73-80,8.DOI:10.19787/j.issn.2097-3128.2025.06.014
基于网络药理学与分子对接探讨绞股蓝治疗慢性萎缩性胃炎的作用机制
The Mechanism of Action of Gynostemma Pentaphyllum in the Treatment of Chronic Atrophic Gastritis Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective:To explore the mechanism of gynostemma in the treatment of chronic atrophic gastritis by using network phar-macology and molecular docking technology.Methods:TCMSP,SwissTargetPrediction and SwissADME platforms were used to screen the active pharmaceutical ingredients and their targets.GeneCards,OMIM,and DisGeNet databases were used to collect dis-ease targets.The Venny2.1.0 platform was used to integrate drugs and disease targets to obtain drug-disease common targets,and the"TCM-disease-compound-target"network diagram and PPI network were constructed by using String database and Cytoscape 3.9.1 software,and topological analysis was carried out.GO function and KEGG pathway enrichment analysis were performed through DAVID database.AutoDock 3.5.7 and Pymol software were used for molecular docking verification and visualization.Results:Through network pharmacology,it was found that there were 9 main active ingredients in gynostemma,including quercetin,gypeno-side XXXV_qt,A_qt gypenoside,xanthagoside and 3'-methyldiphenyldiol,as well as 280 drug targets,1010 disease targets,and 75 drug-disease common targets.Topological analysis showed 16 core targets,including IL6,AKT1,STAT3,SRC and EGFR.A total of 541 items were obtained by GO functional enrichment analysis,including 404 BP entries,40 CC entries,and 97 MF entries.A total of 157 items were obtained in KEGG pathway enrichment analysis,including cancer pathway,prolactin signaling pathway,VEGF signaling pathway,ErbB signaling pathway,etc.The molecular docking results showed that both ligands and receptors could sponta-neously bind and had strong affinity,and the gypenoside XXVIII_qt had the strongest affinity with AKT1.Conclusion:Gynostemma can exert its effect on CAG through the synergistic effect mechanism of multi-component,multi-target and multi-pathway,which provides theoretical support for the further development and application of the drug.关键词
绞股蓝/慢性萎缩性胃炎/网络药理学/分子对接/机制Key words
gynostemma/chronic atrophic gastritis/network pharmacology/molecular docking/mechanism分类
医药卫生引用本文复制引用
孔禹栋,初昀杭,王亚红,杨明,聂雷钢,冷炎..基于网络药理学与分子对接探讨绞股蓝治疗慢性萎缩性胃炎的作用机制[J].中医康复,2025,2(6):73-80,8.基金项目
吉林省中医药科技项目(2024214) （2024214）
