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ID: ALA1141024
Journal: Bioorg Med Chem Lett
Title: Discovery and optimization of highly ligand-efficient oxytocin receptor antagonists using structure-based drug design.
Authors: Bellenie BR, Barton NP, Emmons AJ, Heer JP, Salvagno C.
Abstract: A novel oxytocin antagonist was identified by 'scaffold-hopping' using Cresset FieldScreen molecular field similarity searching. A single cycle of optimization driven by an understanding of the key pharmacophoric elements required for activity led to the discovery of a potent, selective and highly ligand-efficient oxytocin receptor antagonist. Selectivity over vasopressin receptors was rationalized based on differences in the structure of the natural ligands.
CiteXplore: 19095447