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ZENODO
Dataset . 2021
License: CC BY
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ZENODO
Dataset . 2021
License: CC BY
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A Competing Compound For Remdesivir and Molnupiravir In Inhibiting RdRp Protein of COVID-19

Authors: Mohammad Reza Besharati; Mohammad Izadi; Alireza Talebpour;

A Competing Compound For Remdesivir and Molnupiravir In Inhibiting RdRp Protein of COVID-19

Abstract

According to a docking study conducted with the online tool [1][2], the compound Nicotinate mononucleotide with the formula C11H15NO9P+ could inhibit RNA-dependent RNA polymerase (RdRp (RTP site)) protein in COVID-19 coronavirus, with a Score Value of -9.4 (kcal / mol). This is better than the amount for the Remdesivir molecule (-9.2 (kcal / mol)) and after MW correction, it is also better than Molnupiravir, to inhibit the same protein. Since inhibition of this protein plays a key role in the inhibitory function of Remdesivir against COVID-19 virus [3], we can see the Nicotinate mononucleotide compound as an alternative to Remdesivir in inhibiting this coronavirus. Since the molecular weight of Nicotinate mononucleotide (336 g / mol) is approximately half that of Remdesivir (603 g / mol) and Molnupiravir-active-form (499.16 g / mol), it is better in terms of both protein adhesion and absorption capacity. Since the main precursor of Nicotinate mononucleotide, Trigonelline alkaloid, is a naturally occurring plant secondary metabolite, and Nicotinate mononucleotide itself is present in mammalian biomolecular pathways, it is likely to be more available, more cost-effective, and more non-toxic and be better than Remdesivir and Molnupiravir. Please see added data.

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Keywords

SARS-Cov-2, COVID-19, Trigonelline, Nicotinate, Remdesivir, Nicotinate Mononucleotide , Inhibitor, Docking Study, RdRp, RNA-dependent RNA polymerase

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