Mechanism of Zixin Biqiu Granules in treatment of allergic rhinitis based on network pharmacology and molecular docking technology.
10.19540/j.cnki.cjcmm.20220524.401
- Author:
An-Lei YUAN
1
;
Yu MING
2
;
Xin-Yi ZHANG
2
;
Xin-Yang SHU
3
Author Information
1. School of Chinese Materia Medica, Beijing University of Chinese Medicine Beijing 102488, China.
2. Beijing University of Chinese Medicine Beijing 100029, China.
3. Department of Traditional Chinese Medicine for Pulmonary Diseases, National Center for Respiratory Medicine, China-Japan Friendship Hospital Beijing 100029, China.
- Publication Type:Journal Article
- Keywords:
Zixin Biqiu Granules;
allergic rhinitis;
mechanism;
molecular docking;
network pharmacology
- MeSH:
Humans;
Molecular Docking Simulation;
Network Pharmacology;
Rhinitis, Allergic/drug therapy*;
Nasal Mucosa;
Technology;
Drugs, Chinese Herbal/therapeutic use*;
Medicine, Chinese Traditional
- From:
China Journal of Chinese Materia Medica
2022;47(19):5344-5352
- CountryChina
- Language:Chinese
-
Abstract:
Allergic rhinitis(AR) is a chronic inflammatory disorder of nasal mucosa induced by allergen exposure triggering IgE-mediated inflammation. With frequent recurrence, it is difficult to be cured. Zixin Biqiu Granules is developed based on the 60-year clinical experience of CHAO En-xiang, a master of national medicine of China-Japan Friendship Hospital. At present, phase Ⅲ multicenter clinical trial is being prepared, but the mechanism is unclear. Therefore, this study explored the mechanism of Zixin Biqiu Granules against AR based on network pharmacology and molecular docking. First, the chemical components and targets of Zixin Biqiu Granules were retrieved from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP), and the targets of AR from GeneCards and Online Mendelian Inheritance in Man(OMIM). Then the common targets of the two were screened out and the "Chinese medicine-component-target" network was constructed. Afterward, the common targets were imported into the STRING to obtain the interaction of them, and Cytoscape was employed to establish the protein-protein interaction(PPI) network. Through topological analysis, the core targets were obtained. DAVID was used for Gene Ontology(GO) term enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment. The "key target-pathway-biological process" network was constructed to explore the anti-AR mechanism of Zixin Biqiu Granules. Finally, the core targets were selected for molecular docking with the key components of Zixin Biqiu Granules to verify the mechanism. The results showed that there were 151 components and 97 targets in the "Chinese medicine-component-target" network. We obtained 20 core targets, 488 biological processes and 147 pathways in topological, GO, and KEGG enrichment analysis of the protein interaction network, and in the comprehensive analysis, it was found that Zixin Biqiu Granules mainly exerted the therapeutic effect through anti-inflammation and immunoregulation. Serine/threonine-protein kinase 1(AKT1) and tumor necrosis factor(TNF) were docked with the key components of Zixin Biqiu Granules, and the results showed that the key components of Zixin Biqiu Granules had high binding affinity to the core targets. This study preliminarily discussed the anti-AR mechanism of Zixin Biqiu Granules, which laid a scientific basis for its clinical application.
