4.7 Article

Identifying the molecular targets and mechanisms of xuebijing injection for the treatment of COVID-19 via network parmacology and molecular docking

期刊

BIOENGINEERED
卷 12, 期 1, 页码 2274-2287

出版社

TAYLOR & FRANCIS INC
DOI: 10.1080/21655979.2021.1933301

关键词

AKT1; covid-19; molecular docking; network pharmacology; xuebijing injection

资金

  1. Comprehensive Evaluation System for Hospital Drugs released by Ministry of Science and Technology [1871]

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This study identified the potential molecular mechanisms by which Xuebijing Injection inhibits COVID-19, including its potential actions in inhibiting inflammatory response, modulating NOS activity, and regulating the TNF signal pathway. The core target AKT1 and the active ingredients baicalein, luteolin, and quercetin were highlighted in the network pharmacology analysis and molecular docking process. These findings provide insights into how Xuebijing Injection may exert its therapeutic effects on COVID-19 through targeting AKT1.
Xuebijing Injection have been found to improve the clinical symptoms of COVID-19 and alleviate disease severity, but the mechanisms are currently unclear. This study aimed to investigate the potential molecular targets and mechanisms of the Xuebijing injection in treating COVID-19 via network pharmacology and molecular docking analysis. The main active ingredients and therapeutic targets of the Xuebijing injection, and the pathogenic targets of COVID-19 were screened using the TCMSP, UniProt, and GeneCard databases. According to the 'Drug-Ingredients-Targets-Disease' network built by STRING and Cytoscape, AKT1 was identified as the core target, and baicalein, luteolin, and quercetin were identified as the active ingredients of the Xuebijing injection in connection with AKT1. R language was used for enrichment analysis that predict the mechanisms by which the Xuebijing injection may inhibit lipopolysaccharide-mediated inflammatory response, modulate NOS activity, and regulate the TNF signal pathway by affecting the role of AKT1. Based on the results of network pharmacology, a molecular docking was performed with AKT1 and the three active ingredients, the results indicated that all three active ingredients could stably bind with AKT1. These findings identify potential molecular mechanisms by which Xuebijing Injection inhibit COVID-19 by acting on AKT1.

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