Research on How Lizhong Decoction Treats Irritable Bowel Syndrome by Studying Its Mechanism through Network Pharmacology and Macromolecular Docking
Objective To explore the potential molecular mechanisms of Lizhong decoction in the treatment of diarrhea type irritable bowel syndrome(IBS-D)through network pharmacology and molecular docking technology.Methods The main chemical components and target of action of Lizhong decoction were obtained from the TCMSP database,IBS-D disease targets were obtained from the GeneCards database,R software was used to process disease symptoms and effective ingredient targets of Lizhong decoction,and a Venn diagram was drawn.A protein-protein interaction(PPI)network was constructed using Cytoscape 3.7.1 software combined with STRING database,GO and KEGG enrichment analysis was performed on intersecting targets,and Vina software was used for molecular docking validation of core targets and active ingredients.Results 155 common targets for drug diseases were identified through screening,and the top five target proteins in terms of degree were identified through topology analysis of the PPI network,including c-Jun N-terminal kinase(JUN),signal transduction and transcriptional activation protein 3(STAT3),estrogen receptor 1(ESR1),protein kinase 1(AKT1),and interleukin-1β(IL-1β);Enrichment analysis of GO and KEGG pathways showed that Lizhong Decoction may act on AGE-RAGE,atherosclerosis,TNF and other related signaling pathways in IL-17,cancer related,and diabetes complications,which can reduce IBS-D by reducing pathological damage,inflammation,and oxidative stress.Molecular docking showed that the active compound had good binding ability with the screened target.Conclusion Lizhong decoction treats IBS-D through the interaction of multiple components,targets,and pathways,as well as regulating major pathological processes such as inflammatory response and oxidative stress.
万方数据
维普
