Discussion on the mechanism of Gancao Xiexin Decoction in the treatment of Behcets disease based on network pharmacology and molecular docking
Journal Title: Journal of Air Force Medical University - Year 2023, Vol 44, Issue 3
Abstract
Objective To explore the mechanism of Gancao Xiexin Decoction in the treatment of Behcets disease (BD) by using network pharmacology and molecular docking technology. Methods We used Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform to obtain the effective active ingredients and targets of Gancao Xiexin Decoction on BD and selected the relevant targets of BD from GeneCards database. The interaction network of drugsingredients-targets-diseases was generated by Cytoscape 3. 7. 2 software, protein-protein interaction ( PPI) network was drawn by STRING, core targets were screened, and the signal pathways of drugs and diseases were analyzed by gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis. In addition, AutoDock Vina was used to verify the molecular docking of the key active ingredients and the core targets of Gancao Xiexin Decoction. Results In this study, 141 active ingredients and 60 action targets of Gancao Xiexin Decoction were screened. PPI network analysis obtained 10 core targets such as STAT3, IL-6 and TNF. GO enrichment analysis yielded 1 871 items regulating cytokines,oxidative stress and inflammation. KEGG enrichment analysis obtained 17 114 signal pathways such as Th17 cell differentiation, IL-17 and TNF. The results of molecular docking showed that the key active ingredients including quercetin, kaempferol, baicalein, naringenin, and the core targets including STAT3, IL-6, TNF, IL-1β had good binding activity. Conclusion Gancao Xiexin Decoction may act on 10 core targets such as STAT3 and IL-6 through active ingredients such as quercetin and kaempferol. Its mechanism is related to the regulation of Th17 cell differentiation, IL-17, TNF and other pathways related to immune and inflammation.
Authors and Affiliations
WU Xiaoyi, WU Jiamin,ZHENG Jiyuan,XU Hongbin, CHEN Daman, LAI Siran, LIU Ruixuan, CHEN Guangxing
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