HUANG Jiaqi, TAN Yingying, CHEN Meilin, et al. Mechanism of Jingfang Granules in the Treatment of Influenza Based on Network Pharmacology and Molecular Docking Technology[J]. 2021,21(11):1291-1297.
HUANG Jiaqi, TAN Yingying, CHEN Meilin, et al. Mechanism of Jingfang Granules in the Treatment of Influenza Based on Network Pharmacology and Molecular Docking Technology[J]. 2021,21(11):1291-1297. DOI: 10.14009/j.issn.1672-2124.2021.11.003.
基于网络药理学及分子对接技术探讨荆防颗粒治疗流感的作用机制
摘要
目的:基于网络药理学及分子对接技术探讨荆防颗粒治疗流感的机制。方法:通过中药系统药理学数据库与分析平台(traditional Chinese medicine systems pharmacology database and analysis platform
OBJECTIVE: To explore the mechanism of Jingfang granules in the treatment of influenza based on network pharmacology and molecular docking technology. METHODS: The components and targets of Jingfang granules were investigated by traditional Chinese medicine systems pharmacology database and analysis platform( TCMSP).GeneCards database was used to retrieve the targets of influenza
and the potential targets of Jingfang granules in the treatment of influenza were obtained. Protein-protein interaction( PPI) network analysis was performed on the potential targets through the STRING database. Gene ontology( GO) and Kyoto encyclopedia of genes and genomes( KEGG)enrichment analysis of potential targets were performed by R software RStudio. “Drug-component-potential targets”network was constructed by using Cytoscape 3. 7. 2. Autodock was used to carry out the molecular docking of important active components and key targets. RESULTS: A total of 159 components that met the screening criteria( OB≥30%
DL≥0. 18) of Jingfang granules were retrieved
and 2 574 targets for influenza were collected
and 54 targets were obtained as potential targets for the treatment of influenza with Jingfang granules by taking the intersection. GO and KEGG enrichment analysis showed that Jingfang Granule played an essential role in the treatment of influenza mainly through acting on influenza A signaling pathway
MAPK signaling pathway
TNF signaling pathway. Quercetin
luteolin
beta-sitosterol
kaempferol
naringin and wogonin were important effective components of Jingfang granules in the treatment of influenza. PTGS2
PRSS1
ADRB2
MAPK14 and RELA were key targets in the treatment of influenza. Through molecular docking
it was found that quercetin
luteolin
beta-sitosterol
kaempferol and wogonin had low binding energy and good affinity with related targets. CONCLUSIONS: Jingfang granules may inhibit influenza virus and regulate immune response of the body by acting on targets such as PTGS2
PRSS1
ADRB2
MAPK14 and RELA and regulating influenza A signaling pathway
TNF signaling pathway
MAPK signaling pathway and IL-17 signaling pathway.