AI Article Synopsis
- SARS-CoV-2 is the virus responsible for COVID-19, and researchers are exploring existing FDA-approved drugs to find potential treatments.
- This study specifically focuses on antiplatelet drugs and uses advanced computer techniques (in silico methods) to see how well they interact with key proteins of the virus.
- Results show that several antiplatelets, including vorapaxar and ticagrelor, effectively bind to important SARS-CoV-2 proteins, indicating they could be promising candidates for further experimental testing against COVID-19.
Article Abstract
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 (M) 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.
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Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8435103 | PMC |
| http://dx.doi.org/10.1007/s11239-021-02558-5 | DOI Listing |
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