Use este identificador para citar ou linkar para este item: http://repositorio.ufla.br/jspui/handle/1/43052
Título : Paromomycin: a potential dual targeted drug effectively inhibits both spike (S1) and main protease of COVID-19
Autor: Tariq, Asma
Mateen, Rana Muhammad
Afzal, Muhammad Sohail
Saleem, Mahjabeen
Palavras-chave: COVID-19
Drug repurposing
Chloroquine
Protease
Spike
Molecular dynamics (MD) simulations
Publicador: Elsevier
Data da publicação: Set-2020
Referência: TARIQ, A. et al. Paromomycin: a potential dual targeted drug effectively inhibits both spike (S1) and main protease of COVID-19. International Journal of Infectious Diseases, [S.l.], v. 98, p. 166-175, Sept. 2020.
Abstract: Objectives With the increasing number of people suffering from coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), there is a dire need to look for effective remedies against this pandemic. Drug repurposing seems to be the solution for the current situation. Methods In a quest to find a potential drug against this virus, 15 antimalarial drugs (including chloroquine) and 2413 US Food and Drug Administration-approved drugs were investigated for activity against both the protease and spike proteins of SARS-CoV-2 using an in silico approach. Molecular docking analysis followed by molecular dynamics simulation was performed to estimate the binding and stability of the complexes. Results This study identified a single drug – paromomycin – with activity against two targets of SARS-CoV-2, i.e., spike protein (S1) and protease domain. Paromomycin was found to have strong binding affinity for both targets of coronavirus. The results also showed that no antimalarial drug exhibited effective binding for either S1 or protease. Conclusions This study found that paromomycin may be an effective dual targeting drug against coronavirus, as it binds not only to the protease domain of the virion, but also to the spike domain, with high stability. Furthermore, none of the antimalarial drugs showed strong binding affinity for either protease or the receptor binding domain (RBD).
URI: https://www.sciencedirect.com/science/article/pii/S1201971220304987
http://repositorio.ufla.br/jspui/handle/1/43052
Idioma: en_US
Aparece nas coleções:FCS - Artigos sobre Coronavirus Disease 2019 (COVID-19)

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