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Potential role of nicotinamide analogues against SARS-COV-2 target proteins

Saudi Journal of Biological Sciences

September 30, 2021

Arora, Mandeep Kumar

Summary

COVID-19 is caused by ‘severe acute respiratory syndrome coronavirus 2′ (SARS-CoV-2)...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.

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I am Shelly Albaum, and this is my personal website and blog. All the opinions presented here are my own. Nobody writes here but me. You can read more about me here. Cookies are not required to use this website. Read more about that here. 

Original work © 2022 by Right of Assembly

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1. Health Supplements Are Not Medicines. Health Supplements that raise NAD levels, like nicotinamide riboside or other NAD precursors, are not intended to diagnose, treat, cure, or prevent any disease.

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