Conformationally Restricted Hydantoin‐Based Peptidomimetics as Inhibitors of Caspase‐3 with Basic Groups Allowed at the S3 Enzyme Subsite

This is the authors' abstract. We don't add key points for this paper.

By using a combination of molecular modeling, combinatorial chemistry, and biological essays, novel scaffold molecules for the inhibition of caspase-3 have been developed. These compounds have an overall attenuated negative charge and show similar IC(50) values for both recombinant and human endogenous caspase-3. This might provide the basis for a novel strategy for the discovery of potent and more druglike inhibitors of caspase-3.