A2A Pharmaceuticals has developed a proprietary fragment-based computational drug design platform called SCULPT™. We used SCULPT™ to create novel, small molecule therapeutics targeting protein-protein interactions for cancer and bacterial infections. Our first program, targeting MLL-Menin for Leukemia, has yielded very efficacious and selective new drug candidates.
Biochemical target analytics enable selection and placement of chemical fragments to optimally match key protein features which are incorporated into the design of synthetically accessible combinatorial libraries with millions of members. The results from the computational evaluation of library subsets for target affinity facilitate iterations of optimization until a set consisting of 20-30 compounds with ideal ADMET properties and predicted affinity are selected for synthesis and biological evaluation.
A2A is developing inhibitors through IND-enabling studies and partnering with larger pharmaceutical companies to facilitate clinical testing.