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Recognition of Potential COVID-19 Drug Treatments Through the Study of Existing Protein-Drug and Protein-Protein Structures: An Analysis of Kinetically Active Residues

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Submitted:

09 August 2020

Posted:

11 August 2020

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Abstract
We report the results of our study of approved drugs as potential treatments for COVID 19, based on the application of various bioinformatics predictive methods. The drugs studied include chloroquine, ivermectin, remdesivir, sofosbuvir, boceprevir, and α-difluoromethylornithine (DMFO). Our results indicate that these small molecules selectively bind to stable, kinetically active residues and residues adjoining them on the surface of proteins and inside protein pockets, and that some prefer hydrophobic over other active sites. Our approach is not restricted to viruses and can facilitate rational drug design, as well as improve our understanding of molecular interactions, in general.
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Subject: Medicine and Pharmacology  -   Pharmacology and Toxicology
Copyright: This open access article is published under a Creative Commons CC BY 4.0 license, which permit the free download, distribution, and reuse, provided that the author and preprint are cited in any reuse.
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