NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2022, Vol. 34 ›› Issue (7): 1223-1233. doi: 10.16333/j.1001-6880.2022.7.016

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Study on the mechanism of Astragali Radix in the treatment of viral myocarditis based on network pharmacology and molecular docking

LI Zhong-hao1,2,GU Kai-yuan1,3,REN Jin-hong1*   

  1. 1Shanxi University of Chinese Medicine,Jinhong 030619,China;2Nanjing University of Chinese Medicine,Nanjing 210023,China; 3Shenyang Pharmaceutical University,Shenyang 110016,China
  • Online:2022-07-28 Published:2022-07-25

Abstract:

This paper explores the potential mechanism of Astragali Radix in the treatment of viral myocarditis by network pharmacology.Through TCMSP database and disease database,the potential targets of Astragali Radix in the treatment of viral myocarditis were retrieved and screened,respectively,and Cytoscape 3.7.1 was used to construct the “Astragali Radix active ingredient-viral myocarditis-target” network and protein interaction network,followed by GO function and KEGG pathway enrichment analysis using R language,and molecular docking of important Astragali Radix active components and targets by Sybyl-X 2.0.The results showed that there were 22 active components and 97 key targets of Astragali Radix,involving a total of 1 327 biological processes,29 cellular components,66 molecular functions and 90 signaling pathways.Molecular docking results showed that (3R)-3-(2-hydroxy-3,4-dimethoxyphenyl)chroman-7-ol had the best binding to TP53.This study initially explored the potential targets and important signaling pathways of Astragali Radix for the treatment of viral myocarditis,which provided new ideas for futher reseach.

Key words: Astragali Radix, viral myocarditis, network pharmacology, molecular docking

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