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A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease.

Authors :
Hall DC Jr
Ji HF
Source :
Travel medicine and infectious disease [Travel Med Infect Dis] 2020 May - Jun; Vol. 35, pp. 101646. Date of Electronic Publication: 2020 Apr 12.
Publication Year :
2020

Abstract

Background: The COVID-19 has now been declared a global pandemic by the World Health Organization. There is an emergent need to search for possible medications.<br />Method: Utilization of the available sequence information, homology modeling, and in slico docking a number of available medications might prove to be effective in inhibiting the SARS-CoV-2 two main drug targets, the spike glycoprotein, and the 3CL protease.<br />Results: Several compounds were determined from the in silico docking models that might prove to be effective inhibitors for SARS-CoV-2. Several antiviral medications: Zanamivir, Indinavir, Saquinavir, and Remdesivir show potential as and 3CL <superscript>PRO</superscript> main proteinase inhibitors and as a treatment for COVID-19.<br />Conclusion: Zanamivir, Indinavir, Saquinavir, and Remdesivir are among the exciting hits on the 3CL <superscript>PRO</superscript> main proteinase. It is also exciting to uncover that Flavin Adenine Dinucleotide (FAD) Adeflavin, B2 deficiency medicine, and Coenzyme A, a coenzyme, may also be potentially used for the treatment of SARS-CoV-2 infections. The use of these off-label medications may be beneficial in the treatment of the COVID-19.<br /> (Copyright © 2020 Elsevier Ltd. All rights reserved.)

Details

Language :
English
ISSN :
1873-0442
Volume :
35
Database :
MEDLINE
Journal :
Travel medicine and infectious disease
Publication Type :
Academic Journal
Accession number :
32294562
Full Text :
https://doi.org/10.1016/j.tmaid.2020.101646