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Chinese Journal of Clinical Laboratory Management(Electronic Edition) ›› 2023, Vol. 11 ›› Issue (04): 221-229. doi: 10.3877/cma.j.issn.2095-5820.2023.04.005

• Investigation • Previous Articles     Next Articles

The component and mechanism of Sangjuganmao Granules against influenza A (H1N1) based on network pharmacology and molecular docking

Nan Huang, Tianchi Xiao, Chengyue Zeng, Qiaohui Mo, Liying Zhang, Miaoyuan Xu, Xiaoyan Deng, Xiaoli Liang()   

  1. KingMed School of Laboratory Medicine, Guangzhou Medical University, Guangzhou Guangdong 510182, China
  • Received:2023-05-28 Online:2023-11-28 Published:2024-01-06
  • Contact: Xiaoli Liang

Abstract:

Objective

To explore the active ingredients and mechanism of Sangjuganmao Granules against influenza A (H1N1) based on network pharmacology and molecular docking technology.

Methods

The active ingredients and related targets of Sangjuganmao Granules were collected by TCMSP, BATMAN-TCM, SwissTargetPrediction databases and literature review. The related targets of influenza A (H1N1) were collected from GeneCards, OMIM, DisGeNET and other databases. Venny diagram was drawn in order to obtain the intersection targets. Then the intersection targets were input into DAVID database for GO function and KEGG pathway enrichment analysis, and were imported into the STRING database to construct the protein intersection(PPI) network. The core targets and the main active ingredients were captured by the MCC algorithm of Cytoscape 3.9.1 software. This software was also used to draw the traditional Chinese medicine-component-target-disease network diagram. Finally, molecular docking software was used to verify the interaction between main active ingredients and core targets.

Results

A total of 153 active ingredients and 336 potential targets were obtained from Sangjuganmao Granules, and 765 targets of influenza A (H1N1) were identified, with a total of 58 intersection targets. GO functional analysis abtained 414 GO entries, the biological processes were mainly involved in the positive tegulation of RNA polymerase Ⅱ promoter transcription, positive regulation of gene expression and apoptosis. The cellular components were mainly involved extracellular regions, exosomes and mitochondria. The molecular functions were mainly involved in protein binding and cytokine activity. KEGG pathway enrichment analysis obtained 126 results, which mainly involved in IL-17, TNF and C-type lectin receptor signaling pathways. The core active ingredients such as quercetin, luteolin, and kaempferol were captured by further analysis, and the core targets were involved in IL-6, IL-1B, TNF, JUN, TP53, PTGS2, VEGFA, ALB, MMP9, IL-10, etc. Molecular docking results showed that the core active ingredients of Sangjuganmao Granules had good binding activity with the core targets of anti-influenza A (H1N1).

Conclusions

Sangjuganmao Granules mainly acts on core targets IL-6, IL1-B, TNF, JUN, TP53, PTGS2, VEGFA, ALB, MMP9 and IL-10 through quercetin, luteolin, kaferol and other active ingredients, and plays an important role in anti-influenza A (H1N1) by participating in multiple signaling pathways such as IL-17, TNF and C-type lectin receptor.

Key words: Sangjuganmao Granules, influenza A, network pharmacology, molecular docking, main active ingredient

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