Mechanism of action of Jianpiwan in treating chronic gastritis: an analysis based on network pharmacology and molecular docking(PDF)
《中国医学物理学杂志》[ISSN:1005-202X/CN:44-1351/R]
- Issue:
- 2021年第11期
- Page:
- 1421-1429
- Research Field:
- 其他（激光医学等）
- Publishing date:
Info
- Title:
- Mechanism of action of Jianpiwan in treating chronic gastritis: an analysis based on network pharmacology and molecular docking
- Author(s):
- LU Qiming1; HU Xiaoying2
- 1. the First Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou 510405, China 2. Department of Pediatrics, the First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou 510405, China
- Keywords:
- Keywords: Jianpiwan chronic gastritis network pharmacology molecular docking
- PACS:
- R285；R319
- DOI:
- DOI:10.3969/j.issn.1005-202X.2021.11.019
- Abstract:
- Abstract: Objective To explore the mechanism of action of Jianpiwan in the treatment of chronic gastritis based on network pharmacology and molecular docking. Methods TCMSP database, Chemistry Database and SwissADME were used for obtaining the main components of Jianpiwan, TCMSP database and SwissTargetPrediction for predicting the potential targets of the main components, UniProt database for determining the corresponding target genes, and GeneCards database for collecting the target information of chronic gastritis. The PPI networks of Jianpiwan and chronic gastritis were constructed by STRING separately, and then input to Cytoscape software for obtaining the core targets of Jianpiwan for the treatment of chronic gastritis, and the obtained targets were input into Metascape database for KEGG enrichment analysis. The 3D structures of the core active components of Jianpiwan were obtained by PubChem database and ChemDraw software. The protein structure of BBC3 and IL-17A which were verified to be related to chronic gastritis by PDB database were input to Autodock Vina software for molecular docking, and the results were input into Pymol software for visualization analysis. Results The core components of Jianpiwan in treating chronic gastritis which mainly included obacunone, quercetin, epicatechin, luteolin, naringenin and etc could regulate 88 core targets and play a role in the treatment for chronic gastritis via apoptosis signaling pathway, AGE-RAGE signaling pathway in diabetic complications, C-type lectin receptor signaling pathway and etc. Conclusion Jianpiwan plays a role in the treatment for chronic gastritis through multi-component, multi-target, multi-pathway.
Last Update: 2021-11-27