Mechanism of Hanchuan Zupa Granules in the treatment of Influenza A virus based on network pharmacology and molecular docking
10.3760/cma.j.cn115398-20210714-00132
- VernacularTitle:基于网络药理学和分子对接探究寒喘祖帕颗粒抗甲型流感病毒机制
- Author:
Meng HAO
1
;
Lu ZHAO
;
Ya ZENG
;
Bowen YU
;
Zhihong JI
;
Keao LI
;
Xuan MA
Author Information
1. 新疆奇沐医药研究院（有限公司），乌鲁木齐 830011
- Keywords:
Influenza A virus;
Hanchuan Zupa Granules;
Network pharmacology;
Molecular Docking Simulation;
Molecular Mechanisms of Pharmacological Action (TCD)
- From:
International Journal of Traditional Chinese Medicine
2022;44(10):1157-1163
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To explore the ingredients, targets, and mechanisms of Hanchuan Zupa Granules in the treatiment of Influenza A virus.Methods:By using Traditional Chinese Medicine Systems Pharmacology Database Analysis Platform (TCMSP), GeneCards, Online Mendelian Inheritance in Man (OMIM), Pharmacogenomics Knowledgebase (PharmGkb), Therapeutic target database (TTD) and DrugBank database to obtain relevant components and targets of Hanchuan Zupa Granules in the treatment of Influenza A virus; R software was used for the obtain of Hanchuan Zupa Granules -Influenza A virus intersection targets; Cytoscape software was applied for the construction of "Hanchuan Zupa Granules-component-target" network; Protein-protein interaction network (PPI) and topological analysis were constructed by STRING database and Cytoscape software. Intersection targets for gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis were conducted by R software; Auto Dock Tools were used for molecular docking.Results:All together 111 potential active ingredients, with corresponding 131 targetswere identified from Hanchuan Zupa Granules in the treatment of Influenza A virus. Quercetin, apigenin, luteolin, kaempferol, wogonin, etc. are included as core ingredients. STAT3, MAPK1, MAPK3, AKT1, JUN, etc. are included as core targets. Intersection targets were mainly enriched in 178 signal pathways such as IL-17 signal pathway, influenza A signal pathway, TNF signal pathway, etc; Molecular docking showed that core component had a good affinity with the target.Conclusion:Hanchuan Zupa Granules could play the role of anti-Influenza A virus with multi-component-multi-target-multi-pathway,characteristics, and this syudy provide a basis for future experimental research on its mechanism.
