The generation of molecular structures targeting key SARS-CoV-2 proteins using AI-based integrated de novo molecular generator to find the potential inhibitors of viral replication

The scientific goal of the project is to develop new potent antivirals suppressing SARS-CoV-2 coronavirus replication in vitro. Insilico Medicine is going to utilize its own unique generative chemistry platform in order to identify new potent and patentable chemotypes. The AI-generated molecules targeting key proteins of SARS-CoV-2 then will be synthesized and tested in enzymatic assays for inhibitory activity. Most promising compounds will be tested in cellular assays on the lung cells infected by SARS-CoV-2 strains in order to identify the candidates for preclinical studies.