Published in Nature Scientific Reports, this study demonstrates the power of Innophore’s DrugSolver CavitomiX pipeline for computational drug repurposing. By analyzing cavity-based point clouds representing the physico-chemical properties of SARS-CoV-2 target proteins, the team identified fusidic acid and flufenamic acid as promising inhibitors of viral replication. Both compounds were subsequently validated experimentally in cell-based assays with live virus, confirming the platform’s ability to discover clinically relevant drug candidates from existing approved molecules.

Read the full article at Nature Scientific Reports