Modeling the human oxytocin receptor for drug discovery efforts.

The oxytocin receptor belongs to class A receptors within the great family of G protein-coupled receptors. The endogenous ligand oxytocin is a nonapeptide hormone that induces the uterine contractions at parturition and is used to induce the labor. The peptide oxytocin and, even more, its non-peptide antagonist, could be valuable tools in tocolysis. The knowledge of the three-dimensional structure of the oxytocin receptor and the determination of the main interaction points between the receptor and the ligands may help to develop selective oxytocin agonists and antagonist. This review summarizes the knowledge about the mapping of the binding domain of the oxytocin receptor and the efforts in the field of molecular modeling studies related to oxytocin receptor-ligand interactions.