Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse docking

RIBONE, S. R.; PAZ, S. ALEXIS; ABRAMS, CAMERON F.; VILLARREAL, MARCOS A.

Congreso; LatinXChem2021; 2021

The present INDO procedure, based on a multiple scoring fuctionapproach, showed good accuracy in the correct identification of 10 out of14 known inhibitors of different SARS-CoV-2 targets in their top-3preferences. The analysis of the INDO results on the 152 HARD list,showed that the preferential targets were human and viral enzymes. Thisobservation is in line with the fact that enzymes are more druggabletargets that any other non-structural or structural SARS-CoV-2 protein. Theresults present in this work contribute to the further development ofnovel compounds with anti-SARS-CoV-2 activity.