ISSN 1674-3865  CN 21-1569/R
主管:国家卫生和计划生育委员会
主办:中国医师协会
   辽宁省基础医学研究所
   辽宁中医药大学附属医院

Chinese Pediatrics of Integrated Traditional and Western Medicine ›› 2022, Vol. 14 ›› Issue (5): 408-412.doi: 10.3969/j.issn.1674-3865.2022.05.007

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Mechanism of Danmu extract syrup in the treatment of influenza based on network pharmacology and molecular docking

XU Wentao, WANG Xuefeng, ZHANG Xiuying, WU Jialong, CHANG Yichuan, HE Hao   

  1.  Affiliated Hospital of Liaoning University of Traditional Chinese Medicine, Shenyang 110032,China

  • Received:2022-01-01 Published:2022-10-25 Online:2022-10-25
  • Contact: WANG Xuefeng,E-mail:lnzywxf@163.com

Abstract: Objective To explore the possible mechanism of Danmu extract syrup in the treatment of influenza by network pharmacology and molecular docking technology.Methods The active components of Danmu extract were searched forby literature, and the target of active components in Danmu extract syrup was predicted according to Swiss target prediction data platform. The compound-target network was constructed by using the software of Cytoscape 3.6.1.Search for influenza-related genes through GeneCard database;through the Venny diagram, the intersection of active component target of Danmu extract syrup and influenza disease target was obtained,the key target of effective active component of Danmu extract syrup in treating influenza was obtained, and the drug-active component-key target-disease network was constructed. The common targets were analyzed for protein interaction by string database. In order to screen for the core target genes,Cytoscape 3.6.1 was used for visualization,and the plug-in CytoNCA was used to analyze the parameters of degree centrality(DC), betweenness centrality(BC), compactness centrality(CC), eigenvector centrality(EC), network centrality(NC) and local average connectivity(LAC) of protein-protein interaction(PPI); R language was used to make enrichment analysis of the GO and Kyoto encyclopedia of genes and genomes(KEGG) pathway. AutoDock vina 1.1.2 software was used to conduct molecular docking between the main active components and the target of Danmu extract syrup.Results Totally 28 active components corresponding to the target of Danmu extract syrup were obtained, and 544 targets were predicted. There were 2 574 influenza-related genes, 189 key targets of Danmu extract syrup in the treatment of influenza.A total of 54 key targets were screened out by PPI network analysis, including threonine protein kinase 1(AKT1), signal transducer and activator of transcription(STAT3), mitogen activated protein kinase 8(MAPK8), epidermal growth factor receptor (EGFR), etc.. Enrichment analysis showed that the common biological process of Danmu extract syrup and influenza was related to inflammatory reaction, cell proliferation and apoptosis,and the main pathways of action were virus infection pathway, apoptosis pathway, Th17 pathway, tumor necrosis factor pathway and T cell receptor signaling pathway. The results of molecular docking showed that the main active components had good binding activity with influenza virus neuraminidase. Conclusion Danmu extract syrup can inhibit the activity of neuraminidase, inflammatory reaction and apoptosis-related factors and pathways, so as to reduce the inflammatory reaction caused by influenza and achieve the purpose of treating influenza.


Key words: Influenza;Danmu extract syrup, Network pharmacology, Molecular docking