Perspective on the Potential Efficacy of ONWAY® as a Therapeutic Agent for COVID-19: Network Pharmacology and Molecular Docking Analyses
Year: 2025
Type: article
Abstract: Background: COVID-19 is rapidly spreading worldwide. Targeting Akt has emerged as a hopeful approach for treating COVID-19, providing possible therapeutic benefits when focused on specifically. Prior research has confirmed that the active constituents of ONWAY® exhibit a robust attraction to the active region of Akt, consequently impeding the regular operation of its subsequent pathway. Hence, the objective of this ongoing investigation was to assess the feasibility of utilizing ONWAY® as a potential remedy for COVID-19. Subjects and Methods: The ONWAY® target and the gene set associated with the novel coronavirus were generated by utilizing the pharmacology database of the Chinese Traditional Medicine system and seven disease gene databases. To elucidate the underlying mechanisms, we conducted gene ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis, and protein-protein interaction (PPI) network analysis. Additionally, molecular docking was employed to observe the interaction patterns between active compounds and specific proteins. Results: A total of 124 genes were generated, surpassing the established efficacy of Lianhua Qingwen capsule in fighting against COVID-19. Subsequently, a network was established by linking 197 active substances with 468 pairs of compound-target connections. Through the examination of GO and KEGG pathways, it was discovered that ONWAY® exerts regulatory influences on immune response, apoptosis, and viral infection. Four central genes were identified by utilizing the PPI network and subnetworks. Molecular docking was performed on four genes, namely ALB, Akt1, IL-6, and TNF. The presence of these genes is linked to lung damage, the development of lung fibrosis, and viral infection. Importantly, ONWAY® includes two active substances, specifically quercetin and (-)-epigallocatechin-3-gallate, that have the ability to penetrate the active cavity of these four proteins. As a result, they show encouraging therapeutic characteristics in regards to COVID-19. Conclusions: From a bioinformatics standpoint, the study findings elucidate the potential medicinal applications of ONWAY® in managing COVID-19. Furthermore, the research provides insights into the mode of operation of ONWAY®, thereby supporting the advancement of specific drug development and promoting fundamental studies on SARS-CoV-2 infection. Keywords: Chinese traditional medicine; COVI-19, ONWAY®, Molecular docking; Network pharmacology
Author: Austin Journal of Nutrition & Metabolism
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W7078727096
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