实用中医内科杂志2025，Vol.39Issue(5)：5-9,后插1-后插3,8.DOI:10.13729/j.issn.1671-7813.Z20241350
基于网络药理学及分子对接探讨小柴胡汤治疗Hp阳性胃溃疡合并抑郁症的作用机制
Exploring the Mechanism of Xiaochaihu Decoction(小柴胡汤)in the treatment of Hp-positive gastric ulcer combined with Depression Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective Exploring the mechanism of action of Xiaochaihu Decoction(小柴胡汤)in the treatment of Hp-posi-tive gastric ulcer combined with depression based on network pharmacology and molecular docking.Methods Chemical constitu-ents and corresponding targets of classical prescriptions were obtained using TCMSP platform,and disease targets were obtained from Gene Cards and OMIM databases.The intersection target of Xiaochaihu decoction in the treatment of HP-positive gastric ulcer and depression was obtained.The"drug-ingredient-target"network was established by Cytoscape 3.9.0 software,and the protein interaction network of intersecting targets was established by String platform.GO function and KEGG path enrichment analysis were carried out based on R language.Molecular docking verification was carried out based on Auto Dock platform.Re-sults 153 chemical components of Xiaobupleuri decoction were obtained.18043 disease targets,there were 178 intersection tar-gets.Five main active ingredients,quercetin,kaempferol,baicalein,carvetin and carotene,were screened,and ten core targets were TP53,AKT1,STAT3,JUN,TNF,IL-6,HSP90AA1,ESR1,MAPK1 and IL-1B.Enrichment analysis showed that the mechanism of action may be related to TNF signaling pathway,NF-κB signaling pathway and epithelial cell signal transduction in Helico-bacter pylori infection.Molecular docking showed that the main active ingredients had good docking activity with the core target.Conclusion Xiaochaihu decoction can act on JUN,STAT3,AKT1,TP53 and other targets through quercetin,kaemphiol,β-carrot and other pharmacodynamic components,regulate TNF,toll-like receptors,NF-κB and other signaling pathways,and play a role in the treatment of Hp-positive gastric ulcer complicated with depression.关键词
小柴胡汤/Hp阳性胃溃疡/抑郁症/网络药理学/分子对接Key words
Xiaochaihu Decoction(小柴胡汤)/Hp-positive gastric ulcer/depression/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
王森虎,刘杨,曹峰..基于网络药理学及分子对接探讨小柴胡汤治疗Hp阳性胃溃疡合并抑郁症的作用机制[J].实用中医内科杂志,2025,39(5):5-9,后插1-后插3,8.基金项目
国家自然科学基金项目(82160863) （82160863）
