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Quantitative Biology > Biomolecules

arXiv:2004.10233 (q-bio)
COVID-19 e-print

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[Submitted on 21 Apr 2020 (v1), last revised 9 Aug 2020 (this version, v5)]

Title:Recognition of potential Covid-19 drug treatments through the study of existing protein-drug and protein-protein structures: an analysis of kinetically active residues

Authors:Ognjen Perišić
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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 {\alpha}-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.
Comments: 36 pages, 19 figures, 1 table
Subjects: Biomolecules (q-bio.BM)
Cite as: arXiv:2004.10233 [q-bio.BM]
  (or arXiv:2004.10233v5 [q-bio.BM] for this version)
  https://doi.org/10.48550/arXiv.2004.10233

Submission history

From: Ognjen Perisic [view email]
[v1] Tue, 21 Apr 2020 18:37:08 UTC (3,012 KB)
[v2] Thu, 30 Apr 2020 15:05:11 UTC (2,918 KB)
[v3] Fri, 8 May 2020 20:19:27 UTC (3,192 KB)
[v4] Wed, 13 May 2020 13:24:16 UTC (3,519 KB)
[v5] Sun, 9 Aug 2020 19:30:16 UTC (4,721 KB)
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