Tariq, Asma
Sohail Afza, Muhammad
Mateen, Rana Muhammad
2020-07-09T18:44:45Z
2020-07-09T18:44:45Z
2020
https://doi.org/10.1016/j.ijid.2020.06.063
http://hdl.handle.net/20.500.12010/10377
Objectives: With increase in number of people suffering from COVID-19, there is a dire need to
look for effective remedies against this pandemic. Drug repurposing seems to be the solution for
current situation.
Methods: In our quest for finding potential drug against this virus, 15 anti-malarial drugs
including chloroquine, and 2413 FDA approved drugs were investigated against both protease
and spike proteins of COVID-19 using in-silico approach. Molecular docking analysis followed
by MD simulation was carried out to estimate the binding and stability of the complexes.
Results: In this study, we found a single drug Paromomycin against two targets of COVID-19
i.e. Spike protein (S1) and protease domain. Paromomycin was found to have strong binding
affinity against both the targets of coronavirus. The results also showed that no anti-malarial
drug exhibited effective binding against either S1 or protease.
Conclusions: Current study concluded that Paromomycin is an effective dual targeting drug
against coronavirus, as it binds not only to the protease domain of the virion but also with the spike domain with high stability. Furthermore, none of the anti-malarial drugs showed strong
binding affinity for either protease or receptor binding domain (RBD).
34 páginas
application/pdf
Science Direct
reponame:Expeditio Repositorio Institucional UJTL
instname:Universidad de Bogotá Jorge Tadeo Lozano
COVID-19
Drug repurposing
Chloroquine
Protease
Spike
MD simulation
Paromomycin: a potential dual targeted drug effectively inhibits both Spike (S1) and Main Protease of COVID-19
Artículo
Síndrome respiratorio agudo grave
COVID-19
SARS-CoV-2
Coronavirus
info:eu-repo/semantics/openAccess
info:eu-repo/semantics/acceptedVersion
https://doi.org/10.1016/j.ijid.2020.06.063