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Binding Ability Studies of Arginine, Citrulline, N-Acetyl Citrulline and Thiocitrulline with SARS Cov-2 Main Protease Using Molecular Docking Studies

preprint
submitted on 25.04.2020 and posted on 27.04.2020 by Ramesh Thimmasandra Narayan

To

Editor in Chief

Chemarxiv

Respected Sir/Madam

Subject: submission of preprint of an article to ChemRxiv on molecular docking studies of arginine and its structural analogues on COV-19 for publication.

I am herewith submitting the preprint of an article entitled “Binding ability studies of arginine, citrulline, N-acetyl citrulline and thiocitrulline with SARS Cov-2 main protease using molecular docking studies.” for publication as preprint in “ChemRxiv”.

In this paper the binding abilities of arginine, citrulline, N-acetyl citrulline and thiocitrulline with SARS-COV-2 protease have been examined using molecular docking studies. The ligands used for docking has moderate binding affinity to active sites of main protease in terms of values. The binding affinities of these ligands are in the range of -3.1 to -5.1 kcal mol-1. All the ligands bind selectively to Cys-145 and also to other amino acids surrounding to it in the main protease. Of which arginine forms less number of weaker bonds compared to the other ligands, it by itself is a precursor for the formation of citrulline analogues with in the cell. Major advantage of using the above ligands is that in addition to its preferential binding these molecules also have the ability to enhance the immunity of the cells by the generation of nitric oxide in presence of enzymes thereby protecting them. Our results show that N-acetyl citrulline, citrulline, thiocitrulline and arginine may be used as a supplement during the treatment of SARS-COV-2.

I request your good self to kindly accept the article and get it published as pre-print in your esteemed ChemRxiv.

Thanking you

With regards

Ramesh T N

(adityaramesh77@yahoo.com)

History

Email Address of Submitting Author

adityaramesh77@yahoo.com

Institution

Tumkur University

Country

India

ORCID For Submitting Author

0000-0001-5207-494X

Declaration of Conflict of Interest

No conflict of interest

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