The influence of aromatic substitution on a newly discovered class of inhibitors of dipeptidyl peptidase IV was investigated. A 10(5)-fold increase in potency was achieved by the optimization of aromatic substituents in a parallel chemistry program. The observed SAR could be explained by an X-ray structure of the protein-ligand complex.
Representative scheme of DPP4N_Peptidase_S9 structure and an image from PDBsum server
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Databases
PDB-Sum
1RWQ Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server
FSSP
1RWQFold classification based on Structure-Structure alignment of Proteins - FSSP server
