中医临床研究2026，Vol.18Issue(7)：27-35,9.DOI:10.3969/j.issn.1674-7860.2026.07.004
基于网络药理学与分子对接探究大承气汤治疗脓毒症胃肠功能障碍的作用机制
Exploration of the mechanisms of the Da Cheng Qi decoction in treating sepsis-associated gastrointestinal dysfunction based on network pharmacology and molecular docking
摘要
Abstract
Objective:This study aims to investigate the therapeutic mechanisms of the Da Cheng Qi decoction(大承气汤,DCQD)in treating sepsis-associated gastrointestinal dysfunction(SAGD)using network pharmacology and molecular docking.Methods:The target information of the four traditional Chinese medicines in DCQD was screened via the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).The intersection targets between drugs and the disease were identified through comparative analysis.A protein-protein interaction(PPI)network was constructed using the STRING platform,and the data were imported into Cytoscape 3.7.2 software.GO and KEGG enrichment analyses were performed,followed by molecular docking of key active components with drug targets.Results:The analysis identified 138 potential drug targets and 3 379 disease targets,with 96 overlapping targets between them.The study revealed that DCQD may exert its therapeutic effects through pathways including the relaxin signaling pathway.Molecular docking validation demonstrated favorable binding activity between TP53 and aloe-emodin,as well as between(CASP3)and nobiletin.Conclusion:Through screening and comparative analysis of DCQD and SAGD-related targets,network analysis revealed that DCQD exhibits a multi-target,multi-gene,and multi-pathway mechanism in the treatment of SAGD.Besides reducing inflammation,it regulates metabolic homeostasis and prevents cancer development,providing new directions for the treatment of SAGD.关键词
大承气汤/脓毒症胃肠功能障碍/网络药理学/作用机制/分子对接Key words
The Da Cheng Qi decoction/Sepsis-associated gastrointestinal dysfunction/Network pharmacology/Mechanism of action/Molecular docking分类
医药卫生引用本文复制引用
王艺陈,李长辉,刘晨雨..基于网络药理学与分子对接探究大承气汤治疗脓毒症胃肠功能障碍的作用机制[J].中医临床研究,2026,18(7):27-35,9.基金项目
沈阳市科技计划项目(22-321-33-44):基于TLRsMyD88NF-kappaB通路探究健脾泄浊法对脓毒症合并胃肠功能障碍的影响及机制研究. （22-321-33-44）
