风芍六君子汤干预急性重症溃疡性结肠炎机制的网络药理学与分子对接研究OA

Objective:To explore the potential mechanism of Fengshao Liujunzi Decoction intervening in acute severe ulcerative colitis(ASUC)based on network pharmacology and molecular docking,so as to provide a theoreti-cal basis for its clinical application.Methods:The active components of Fengshao Liujunzi Decoction were screened through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TC-MSP)and related literature,and the potential targets were predicted by Swiss Target Prediction database.ASUC-related disease targets were collected from Online Mendelian Inheritance in Man(OMIM),GeneCards,DisGeNeT and Therapeutic Target Database(TTD).The intersection of drug targets and disease targets was analyzed,and pro-tein-protein interaction(PPI)network was constructed to screen key components and core targets.Gene Ontology(GO)functional enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG)signaling pathway enrich-ment analyses of the intersection targets were performed using Metascape.Molecular docking verification was con-ducted between representative active components and core targets based on network analysis results.Results:A total of 183 active components and 1 057 potential targets of Fengshao Liujunzi Decoction were screened,and 1 969 ASUC-related targets were obtained,with 446 potential therapeutic targets obtained after intersection.PPI network analysis screened 43 core targets,among which Akt serine/threonine kinase 1(Akt1),signal transducer and activator of transcription 3(STAT3),tumor protein p53(TP53)and proto-oncogene tyrosine-protein kinase(SRC)were at the core position.GO enrichment analysis showed that the related targets were mainly involved in biological processes such as response to exogenous stimulus,protein modification and apoptosis.KEGG enrichment analysis indicated that the targets were mainly enriched in inflammation and immune-related signaling pathways including phosphatidylinositol 3-kinase-protein kinase B(PI3K-Akt)signaling pathway and mitogen-activated protein kinase(MAPK)signaling pathway.Molecular docking results showed that quercetin,luteolin and kaempfer-ol had good binding ability with core targets.Conclusion:Fengshao Liujunzi Decoction may regulate inflammatory response and intestinal mucosal injury through synergistic effects of multiple components,multiple targets and mul-tiple pathways,thereby intervening in the occurrence and development of ASUC.This study provides certain theo-retical support for the application of Fengshao Liujunzi Decoction in the acute phase of ASUC.