Back to Search
Start Over
A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease.
- 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.)
- Subjects :
- Adenosine Monophosphate analogs & derivatives
Adenosine Monophosphate chemistry
Adenosine Monophosphate therapeutic use
Alanine analogs & derivatives
Alanine chemistry
Alanine therapeutic use
Binding Sites
COVID-19
Coronavirus 3C Proteases
Coronavirus Infections drug therapy
HIV Protease Inhibitors chemistry
HIV Protease Inhibitors therapeutic use
Humans
Indinavir chemistry
Indinavir therapeutic use
Molecular Docking Simulation
Off-Label Use
Pandemics
Pneumonia, Viral drug therapy
SARS-CoV-2
Saquinavir chemistry
Saquinavir therapeutic use
Spike Glycoprotein, Coronavirus antagonists & inhibitors
Structural Homology, Protein
Viral Nonstructural Proteins antagonists & inhibitors
Zanamivir chemistry
Zanamivir therapeutic use
COVID-19 Drug Treatment
Betacoronavirus chemistry
Coronavirus Infections virology
Cysteine Endopeptidases chemistry
Drug Discovery methods
Pneumonia, Viral virology
Spike Glycoprotein, Coronavirus chemistry
Viral Nonstructural Proteins chemistry
Subjects
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