Volume 20 Issue 5
May  2022
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Article Navigation >  Chinese Journal of General Practice  > 2022  >  20(5): 727-730
SHI Wei-hua, CHAO Xiao-ying, SU Yong-xing, LI Shuo, LI Xiao-li, ZHONG Guo-qiang. Mechanism of Shenfu Decoction in the treatment of atrial fibrillation based on network pharmacology and molecular docking[J]. Chinese Journal of General Practice, 2022, 20(5): 727-730. doi: 10.16766/j.cnki.issn.1674-4152.002440
Citation: SHI Wei-hua, CHAO Xiao-ying, SU Yong-xing, LI Shuo, LI Xiao-li, ZHONG Guo-qiang. Mechanism of Shenfu Decoction in the treatment of atrial fibrillation based on network pharmacology and molecular docking[J]. Chinese Journal of General Practice, 2022, 20(5): 727-730. doi: 10.16766/j.cnki.issn.1674-4152.002440
shu

Mechanism of Shenfu Decoction in the treatment of atrial fibrillation based on network pharmacology and molecular docking

doi: 10.16766/j.cnki.issn.1674-4152.002440

  • Cardiovascular Department, the First Affiliated Hospital of Guangxi Medical University, Nanning, Guangxi 530021, China

Funds:

 82060068

  • Received Date: 2021-08-19
    Available Online: 2022-09-05
    Abstract
  •   Objective  To explore the mechanism of Shenfu Decoction in the treatment of atrial fibrillation by network pharmacology and molecular docking technology.  Methods  The main active ingredients of Shenfu Decoction were screened by the TCMSP database, and the related targets were annotated by the Uniprot database and gene names were obtained. The targets of atrial fibrillation were obtained from the OMIM and Pharmgkb Databases. R software was used to determine the intersection of atrial fibrillation and the active ingredient targets of Shenfu Decoction, and the therapeutic targets were obtained. The PPI network was constructed by using the online String database, and the results were imported into Cytoscape software to construct the "active ingredient-target-disease" network and perform topology analysis to obtain the core targets. The GO and KEGG enrichment analyses of key targets in the DAVID database were carried out, and AutoDock Vina software was applied to conduct molecular docking of key components and key targets.  Results  The 101 targets of Shenfu Decoction and 3 219 targets of atrial fibrillation were obtained, and 65 common targets were obtained after the intersection. Topology analysis showed that NFKBIA, RELA, IL1B, JUN, STAT1 and MAPK8 might be the core targets of Shenfu Decoction in treating AF. GO suggested that the targets involved biological processes such as voltage-gated calcium channel activity, calcium ion transport and reactive oxygen metabolism. KEGG suggested that the targets were involved in the treatment of atrial fibrillation through cGMP-PKG, cAMP, calcium channel and PI3K-Akt signalling pathways. The results of molecular docking showed that the core target protein had good binding stability with the corresponding active components.  Conclusion  The treatment of atrial fibrillation with Shenfu Decoction has the characteristics of "multi-component, multi-target and multi-pathway", which may be related to targets of NFKBIA, RELA, IL1B, JUN, STAT1 and MAPK8. The specific mechanisms may need to be confirmed by molecular biological experiments.

     

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