Interaction of Drug Candidates with Various SARS-CoV-2 Receptors: An in Silico Study to Combat COVID-19.
Romulo O BarrosFabio L C C JuniorWildrimak S PereiraNeiva M N OliveiraRicardo Martins RamosPublished in: Journal of proteome research (2020)
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.
Keyphrases
- sars cov
- molecular docking
- respiratory syndrome coronavirus
- coronavirus disease
- healthcare
- hiv infected
- mental health
- human immunodeficiency virus
- hiv positive
- endothelial cells
- hepatitis c virus
- public health
- protein protein
- binding protein
- climate change
- adverse drug
- drug induced
- south africa
- induced pluripotent stem cells
- plasmodium falciparum