Potential antiviral properties of antiplatelet agents against SARS-CoV-2 infection: an in silico perspective.
Mohammed A AbosheashaAfnan H El-GowilyAbdo A ElfikyPublished in: Journal of thrombosis and thrombolysis (2021)
SARS-CoV-2 represents the causative agent of the current pandemic (COVID-19). The drug repurposing technique is used to search for possible drugs that can bind to SARS-CoV-2 proteins and inhibit viral replication. In this study, the FDA-approved antiplatelets are tested against the main protease and spike proteins of SARS-CoV-2 using in silico methods. Molecular docking and molecular dynamics simulation are used in the current study. The results suggest the effectiveness of vorapaxar, ticagrelor, cilostazol, cangrelor, and prasugrel in binding the main protease (Mpro) of SARS-CoV-2. At the same time, vorapaxar, ticagrelor, and cilostazol are the best binders of the spike protein. Therefore, these compounds could be successful candidates against COVID-19 that need to be tested experimentally.
Keyphrases
- sars cov
- molecular docking
- respiratory syndrome coronavirus
- molecular dynamics simulations
- percutaneous coronary intervention
- acute coronary syndrome
- coronavirus disease
- randomized controlled trial
- emergency department
- st segment elevation myocardial infarction
- binding protein
- st elevation myocardial infarction
- transcription factor
- risk assessment
- electronic health record
- drug administration
- protein protein