NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2020, Vol. 32 ›› Issue (12): 2003-2011. doi: 10.16333/j.1001-6880.2020.12.003

Special Issue: No.1

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Network pharmacologic molecular mechanism of Shenfu Injection in treatment of COVID-19 with AKI

ZHANG Sha,JIANG Ming-chen,TAO Jia-lei,YUAN Bin*   

  1. Nanjing University of Chinese Medicine,Nanjing 210029,China

  • Online:2020-12-28 Published:2020-12-24

Abstract:

This article aims to analyze the mechanism of Shenfu Injection in the treatment of COVID-19 combined with AKI through network pharmacology and molecular docking methods,and provide theoretical guidance for the treatment of COVID-19 combined with AKI in Chinese medicine.Obtain the chemical composition of red ginseng and aconite in Shenfu Injection through TCMSP database and supplement it with literature;Use the Swiss Target Prediction database to predict the targets of active chemical ingredients;use the GeneCards database to screen the targets of COVID-19 and comorbid AKI;The enrichment analysis of GO and KEGG was carried out through the DAVID database;the Chinese medicine-component-target-channel network was constructed using Cytoscape 3.8.0 software;AutoDock 4.2.6 and PyMol were used for the molecular docking and visualization of the core components with Mpro and ACE2.As a result,139 active ingredients in Shenfu Injection were excavated.There are 64 common targets for Shenfu Injection in the treatment of COVID-19 and AKI.The key targets involve TNF,IL6,MAPK3,CASP3,etc,involving 67 signaling pathways such as hypoxia-inducible factor-1,tumor necrosis factor,PI3K-Akt,Toll-like receptor,and apoptosis.The results of molecular docking showed that ginsenoside-Rc and ACE2,as well as ginsenoside Rh2 and Mpro had better binding ability.This study reveals that Shenfu Injection can treat COVID-19 combined with AKI through multiple components,multiple targets,and multiple pathways to play a role in combating cytokine storm,improving body immunity,resisting oxidative stress and reducing hypoxia-reoxygenation injury.Network pharmacology molecular mechanism.

Key words: Shenfu injection, COVID-19, acute kidney injury, network pharmacology, molecular docking 

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