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J Proteome Res ; 19(11): 4567-4575, 2020 11 06.
Article in English | MEDLINE | ID: mdl-32786890

ABSTRACT

The world is currently facing the COVID-19 pandemic caused by the SARS-CoV-2 virus. The pandemic is causing the death of people around the world, and public and social health measures to slow or prevent the spread of COVID-19 are being implemented with the involvement of all members of society. Research institutions are accelerating the discovery of vaccines and therapies for COVID-19. In this work, molecular docking was used to study (in silico) the interaction of 24 ligands, divided into four groups, with four SARS-CoV-2 receptors, Nsp9 replicase, main protease (Mpro), NSP15 endoribonuclease, and spike protein (S-protein) interacting with human ACE2. The results showed that the antimalarial drug Metaquine and anti-HIV antiretroviral Saquinavir interacted with all the studied receptors, indicating that they are potential candidates for multitarget drugs for COVID-19.


Subject(s)
Betacoronavirus , Coronavirus Infections , Drug Discovery/methods , Molecular Docking Simulation , Pandemics , Pneumonia, Viral , Antiviral Agents/chemistry , Antiviral Agents/metabolism , Betacoronavirus/chemistry , Betacoronavirus/metabolism , COVID-19 , Coronavirus Infections/drug therapy , Coronavirus Infections/virology , Humans , Pneumonia, Viral/drug therapy , Pneumonia, Viral/virology , Protein Binding , SARS-CoV-2 , Viral Proteins/chemistry , Viral Proteins/metabolism
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