Journal of Shandong University (Health Sciences) ›› 2022, Vol. 60 ›› Issue (3): 29-38.doi: 10.6040/j.issn.1671-7554.0.2021.0656

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Exploration of Huangqi Guizhi Wuwutang in the treatment of ankylosing spondylitis based on network pharmacology

LI Mingbo1, HUANG Yanbo1, LIU Juncheng1, REN Dongcheng2, TAN Chengshuang3, XU Jixi4, DING Jinyong4   

  1. 1. The First Clinical Medical College of Guangzhou University of Traditional Chinese Medicine, Guangzhou 510405, Guangdong, China;
    2. Department of Orthopedics, The Third Peoples Hospital of Shenzhen, Shenzhen 518112, Guangdong, China;
    3. Department of Orthopedics, The Second Peoples Hospital of Panyu District, Guangzhou 511400, Guangdong, China;
    4. Department of Spine Orthopedic, The First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou 510405, Guangdong, China
  • Published:2022-03-09

Abstract: Objective To investigate the molecular mechanism of Huangqi Guizhi Wuwutang in the treatment of ankylosing spondylitis(AS)by using network pharmacology and molecular docking technology. Methods The chemical components and targets of Huangqi Guizhi Wuwutang were searched in TCMSP database, and gene annotation of drug targets were carried out. AS disease-related targets were searched from Gene Cards, OMIM, PharmGkb, TTD, and DrugBank database. Then, a visual network of “traditional Chinese medicine-components-intersection target” was constructed by using Cytoscape 3.8.0 software among drugs, active chemical components and intersection target. The visual network result data were imported into the String database to construct the protein interaction network. R language software and R package were used to analyze GO and KEGG enrichment. Finally, molecular docking was conducted between the core active component and the core target. Results A total of 74 active compounds of Huangqi Guizhi Wuwutang were obtained. After the reverse screening of active ingredients of TCM decoction according to the common targets of diseases and TCM decoction, 32 active ingredients were reserved, and 997 corresponding targets were predicted. A total of 2,234 AS related targets and 78 genes were intersected. Eight core targets were selected after the second scoring using CytoNCA plug-in R software. A total of 1,990 and 135 enrichment terms were acquired by GO and KEGG enrichment analyses, respectively. The results of molecular docking showed that the target of the active component and the target of the core gene could be docked stably. Conclusion In the treatment of AS, Huangqi Guizhi Wuwutang acts on PTGS2, IL6, TNF, VEGFA, IL1B, ICAM1, STAT1, CXCL8 and other gene targets through quercetin, paeoniflorin, kaempferol and other components. Thus, it can affect the function of “lipid and atherosclerosis” “AGE-RAGE signaling pathway” “IL-17 signaling pathway” “TNF signaling pathway” “NF-kappa B signaling pathway” and other related pathways.

Key words: Ankylosing spondylitis, Huangqi Guizhi Wuwutang, Blood paralysis, Network pharmacology, Molecular docking

CLC Number: 

  • R681.5
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