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Potential role of nicotinamide analogues against SARS-COV-2 target proteins.
- Source :
- Saudi Journal of Biological Sciences; Dec2021, Vol. 28 Issue 12, p7567-7574, 8p
- Publication Year :
- 2021
-
Abstract
- Coronavirus 2019 (COVID-19) is caused by 'severe acute respiratory syndrome coronavirus 2′ (SARS-CoV-2), first reported in Wuhan, China in December 2019, which eventually became a global disaster. Various key mediators have been reported in the pathogenesis of COVID-19. However, no effective pharmacological intervention has been available to combat COVID-19 complications. The present study screens nicotinamide riboside (NR) and nicotinamide mononucleotide (NMN) as potential inhibitors of this present generation coronavirus infection using an in-silico approach. The SARS-CoV-2 proteins (nucleocapsid, proteases, post-fusion core, phosphatase, endoriboruclease) and ACE-2 protein were selected. The 2D structure of nicotinamide ribonucleoside and nicotinamide ribonucleotide was drawn using ChemDraw 14.0 and saved in.cdx format. The results were analyzed using two parameters: full fitness energy and binding free energy (ΔG). The full fitness energy and estimated ΔG values from docking of NM, and NMN with selected SARS-CoV-2 target proteins, ADMET prediction and Target prediction indicate the interaction of NR and NMN in the treatment of COVID-19. Based on full fitness energy and estimated ΔG values from docking studies of NM and NAM with selected SARS-CoV-2 target proteins, ADME prediction, target prediction and toxicity prediction, we expect a possible therapeutic efficacy of NR in the treatment of COVID-19. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 1319562X
- Volume :
- 28
- Issue :
- 12
- Database :
- Supplemental Index
- Journal :
- Saudi Journal of Biological Sciences
- Publication Type :
- Academic Journal
- Accession number :
- 153623900
- Full Text :
- https://doi.org/10.1016/j.sjbs.2021.09.072