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The synthesis of seventeen new 1,3-diaryl-5-oxo-proline derivatives as endothelin receptor (ETR) ligands is described. The structural configuration of the new molecules was determined by analyzing selected signals in proton NMR spectra. In vitro binding assays of the human ET A and ET B receptors allowed us to identify compound 31h as a selective ET A R ligand. The molecular docking of the selected compounds and the ET A antagonist atrasentan in the ET A R homology model provided insight into the structural elements required for the affinity and the selectivity of the ET A R subtype.

Synthesis and Molecular Modelling Studies of New 1,3-Diaryl-5-Oxo-Proline Derivatives as Endothelin Receptor Ligands