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A new coronavirus identified as SARS-CoV-2 virus has brought the world to astate of crisis, causing a major pandemic, claiming more than 433,000 lives andinstigating major financial damage to the global economy. Despite currentefforts, developing safe and effective treatments remains a major challenge.Moreover, new strains of the virus are likely to emerge in the future. Toprevent future pandemics, several drugs with various mechanisms of action arerequired. Drug discovery efforts against the virus fall into two maincategories: (a) monoclonal antibodies targeting the spike protein of the virusand blocking it from entry; (b) small molecule inhibitors targeting keyproteins of the virus, interfering with replication and translation of thevirus. In this study, we are presenting a computational investigation of apotential drug candidate that targets SARS-CoV-2 protease, a viral proteincritical for replication and translation of the virus.

A small molecule drug candidate targeting SARS-CoV-2 main protease