To Analyze the Mechanism of Glycyrrhiza uralensis (Licorice) in the Treatment of COVID-19 Based on Network Pharmacology and Molecular Docking Technology

Abstract

The current study, the effectiveness of analyzing Glycyrrhiza uralensis for the treatment of COVID-19 was investigated using an integrated network pharmacology and molecular docking approach. Through network pharmacology, establishment of Protein-Protein Interactions (PPI), molecular docking simulations, GO analysis, and KEGG analysis, the aim was to investigate the mechanism of licorice in the treatment of COVID-19. There are 7 core genes corresponding to 3 bioactive compounds of G. uralensis. The target proteins of G. uralensis for the treatment of neocoronary pneumonia could be enriched to cancer pathway, lipid The target proteins of G. uralensis for the treatment of neocoronary pneumonia could be enriched to cancer pathway, lipid and atherosclerosis pathway, PI3K-Akt signaling pathway, and down-regulate the activity of core targets to inhibit the expression of virus SARS-CoV-2. Based on molecular docking simulations, the largest significant binding affinities were found for TNF and 7-Methoxy-2-methyl isoflavone (-6.95 kcal/mol), MAPK1 and kaempferol (-6.75 kcal/mol), and AKT1 and quercetin (-6.74 kcal/mol). Quercetin induces viral cell cycle arrest and inhibits growth and metastasis by engaging in the induction and expression of key intracellular targets. The flavonoid chemicals of kaempferol can inhibit inflammation-related signaling pathways and suppress the release of inflammation-related factors, and 7-methoxy-2-methylisoflavone may have therapeutic effects on COVID-19 by reducing hydroxyproline levels to suppress lung inflammation and fibrosis indices and modulate immune function. This suggests that G. uralensis has an interfering effect on novel coronaviruses and its main active component has a strong binding ability to the core gene of SARS-CoV-2, providing knowledge for future studies based on COVID-19.