Huang Qin Tang is a Traditional Chinese Medicine formula for ulcerative colitis. However, the pharmacology and molecular mechanism of Huang Qin Tang on ulcerative colitis is still unclear. Combined microarray analysis, network pharmacology, and molecular docking for revealing the therapeutic targets and molecular mechanism of Huang Qin Tang against ulcerative colitis. TCMSP, DrugBank, Swiss Target Prediction were utilized to search the active components and effective targets of Huang Qin Tang.
Ulcerative colitis effective targets were obtained by microarray data from the GEO database (GSE107499). Co-targets between Huang Qin Tang and ulcerative colitis are obtained by Draw Venn Diagram. PPI (Protein-protein interaction) network was constructed by the STRING database.
To obtain the core target, topological analysis is exploited by Cytoscape 3.7.2. GO and KEGG enrichment pathway analysis was performed to Metascape platform, and molecular docking through Autodock Vina 1.1.2 finished. 161 active components with 486 effective targets of Huang Qin Tang were screened. 1542 ulcerative colitis effective targets were obtained with |Log2FC|> 1 and adjusted P-value < 0.05. The Venn analysis was contained 79 co-targets.
Enrichment analysis showed that Huang Qin Tang played a role in TNF signaling pathway, IL-17 signaling pathway, Th17 cell differentiation, etc. IL6, TNF, IL1B, PTGS2, ESR1, and PPARG with the highest degree from PPI network were successfully docked with 19 core components of HQD, respectively.
According to ZINC15 database, quercetin (ZINC4175638), baicalein (ZINC3871633), and wogonin (ZINC899093) recognized as key compounds of Huang Qin Tang on ulcerative colitis. PTGS2, ESR1, and PPARG are potential therapeutic targets of Huang Qin Tang.
HQD can act on multiple targets through multi-pathway, to carry out its therapeutic role in ulcerative colitis.