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OA

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.