Integrated bioinformatics and network pharmacology to identify the therapeutic target and molecular mechanisms of Huangqin decoction on ulcerative Colitis

• Published in: Scientific reports 2022-01, Vol.12 (1), p.159-159, Article 159
• Main Authors: Wu, Yi, Liu, Xinqiao, Li, Guiwei
• Format: Article
• Language: English
• Subjects: 631/114; 631/337; 692/4020; Anti-Inflammatory Agents - isolation & purification; Anti-Inflammatory Agents - pharmacology; Bioinformatics; Cell differentiation; Colitis, Ulcerative - drug therapy; Colitis, Ulcerative - immunology; Colitis, Ulcerative - metabolism; Colitis, Ulcerative - pathology; Colon - drug effects; Colon - immunology; Colon - metabolism; Colon - pathology; Computational Biology; Cyclooxygenase 2 - genetics; Cyclooxygenase 2 - metabolism; Cytokines - metabolism; Databases, Genetic; Drugs, Chinese Herbal - isolation & purification; Drugs, Chinese Herbal - pharmacology; ESR1 protein; Estrogen Receptor alpha - genetics; Estrogen Receptor alpha - metabolism; Flavanones - isolation & purification; Flavanones - pharmacology; Gastrointestinal Agents - isolation & purification; Gastrointestinal Agents - pharmacology; Gene Regulatory Networks; Helper cells; Herbal medicine; Humanities and Social Sciences; Humans; IL-1β; Inflammatory bowel disease; Interleukin 1; Interleukin 17; Interleukin 6; Lymphocytes T; Molecular Docking Simulation; Molecular modelling; multidisciplinary; Network Pharmacology; Oligonucleotide Array Sequence Analysis; Peroxisome proliferator-activated receptors; Pharmacology; PPAR gamma - genetics; PPAR gamma - metabolism; Protein Interaction Maps; Quercetin; Quercetin - isolation & purification; Quercetin - pharmacology; Science; Science (multidisciplinary); Scutellaria baicalensis - chemistry; Signal transduction; Systems Integration; Th17 Cells - drug effects; Th17 Cells - immunology; Th17 Cells - metabolism; Therapeutic applications; Therapeutic targets; Traditional Chinese medicine; Ulcerative colitis
• ISSN: 2045-2322; 2045-2322
• DOI: 10.1038/s41598-021-03980-8

Huangqin decoction (HQD) is a Traditional Chinese Medicine formula for ulcerative colitis. However, the pharmacology and molecular mechanism of HQD on ulcerative colitis is still unclear. Combined microarray analysis, network pharmacology, and molecular docking for revealing the therapeutic targets and molecular mechanism of HQD against ulcerative colitis. TCMSP, DrugBank, Swiss Target Prediction were utilized to search the active components and effective targets of HQD. Ulcerative colitis effective targets were obtained by microarray data from the GEO database (GSE107499). Co-targets between HQD 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 HQD were screened. 1542 ulcerative colitis effective targets were obtained with |Log 2 FC|> 1 and adjusted P -value