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J Proteome Res ; 19(11): 4567-4575, 2020 11 06.
Artigo em Inglês | MEDLINE | ID: mdl-32786890

RESUMO

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.


Assuntos
Betacoronavirus , Infecções por Coronavirus , Descoberta de Drogas/métodos , Simulação de Acoplamento Molecular , Pandemias , Pneumonia Viral , Antivirais/química , Antivirais/metabolismo , Betacoronavirus/química , Betacoronavirus/metabolismo , COVID-19 , Infecções por Coronavirus/tratamento farmacológico , Infecções por Coronavirus/virologia , Humanos , Pneumonia Viral/tratamento farmacológico , Pneumonia Viral/virologia , Ligação Proteica , SARS-CoV-2 , Proteínas Virais/química , Proteínas Virais/metabolismo
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