A novel series of non-covalent, benzimidazole-based inhibitors of DPP-4 has been developed from a small fragment hit using structure-based drug design. A highly versatile synthetic route was created for the development of SAR, which led to the discovery of potent and selective inhibitors with excellent pharmaceutical properties.
Representative scheme of DPP4N_Peptidase_S9 structure and an image from PDBsum server
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Databases
PDB-Sum
3CCC Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server
FSSP
3CCCFold classification based on Structure-Structure alignment of Proteins - FSSP server
