in drug discovery and Optimization
MD2 Biosciences uses artificial intelligence (AI) in drug discovery and optimization
Our scientists developed a novel platform to identify small-molecule hits suitable for flat proteins. Our methodology predicts potential hotspots of the target protein and assigns a protein-ligand specificity index, which can be extremely helpful during the lead generation stage. Coupled with medicinal chemistry design expertise and using modern drug discovery property predictors, our AI platform further supports the lead optimization process. Using our AI, we successfully generated novel lead compounds with suitable properties for the intended route of administration (oral or IV, etc.) and CNS delivery by allowing drug molecules to cross the blood-brain barrier (BBB).