Deploying BrightCore AI platform to find inhibitors of the SARS-CoV-2 replicase polyprotein

BrightCore is deploying its AI in drug discovery platform to find potential candidates for inhibition of the SARS-CoV-2 replicase polyprotein 1ab. In our initial approach, we run our deep learning models to find inhibitors of the replicase polyprotein target. We find potential candidates in the ChEMBL database of drug-like molecules, and also explore a much larger chemical space, the Enamine REAL database, with over 1 billion molecules. To cross-check the results, we simulate the protein-ligand binding using molecular docking approaches. We identify a short list of top scoring candidates for further in vitro research.

Age is the most significant factor in the COVID-19 disease outcomes, and its mortality risk profile is similar to age-related diseases. Finding potential drug candidates for cellular and immune system rejuvenation is an additional pathway for COVID-19 therapeutics, and we are exploring targets for potential intervention.