Rational Drug Design

In the Glenn lab, we use molecular modeling and in silico docking to guide the molecular design of lipid kinase inhibitors. We use the Schrodinger Suite, a state-of-the-art computational chemistry software, to model predicted inhibitor docking at binding sites and then biochemically and biophysically validate the binding. Confirmed inhibitors are then advanced to our cell-based and in vivo efficacy assays. Currently we are developing inhibitors to target phosphatydilinositol-4 kinase and PIP5K1 as inhibitors against viruses that depend on PIP2 for their replication, such as Enteroviruses, Rhinoviruses and others.