Scientists select 7 drugs for coronavirus treatment

In their attempt to curb the spread of COVID-19, researchers have shortlisted seven drugs that are most capable of deactivating the enzyme that allows the novel coronavirus to replicate. This development could prove to be a crucial step in creating a vaccine that can put a definitive end to this viral disease.

In this study, the Cheminformatics and Nutrition research group from the Universitat Rovira i Virgili (URV), Spain, used a virtual screening process to predict which of the 6,466 total approved drugs would be best suited to inhibit the main protease of the novel coronavirus.

Also referred to as M-pro, this main protease plays an essential role in the virus’ replication, and is therefore, a common and key target for most antiviral drugs.

Using three effective sampling algorithms, the researchers narrowed the enormous list down to just seven possible SARS-CoV-2 M-pro inhibitors: Perampanel, Carprofen, Celecoxib, Alprazolam, Trovafloxacin, Sarafloxacin and ethyl biscoumacetate.

Subsequently, the COVID Moonshot initiative, an international group of scientists, shortlisted Carprofen and Celecoxib, so as to begin testing their ability to inhibit M-pro in vitro.

The results obtained from their tests showed that while 50 µM of Celecoxib inhibited M-pro by 11.9%, the same amount of Carprofen restrained the protease by 3.97%. Both molecules could, from here on, be used as a starting point for further lead optimisation to obtain even more potent derivatives.

Meanwhile, the COVID Moonshot is also expected to test the remaining five drug molecules for their bioactivity, and determine their effectiveness in curbing the virus’ ability to replicate.

This study, published in the International Journal of Molecular Sciences (IJMS), is the first published research worldwide wherein computational predictions are experimentally corroborated for drug repositioning as inhibitors of SARS-CoV-2 M-pro. _Agencies


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