Discovery and optimization of highly ligand-efficient oxytocin receptor antagonists using structure-based drug design

Bioorganic and Medicinal Chemistry Letters

Volumn 19, Issue 3, 2009, Pages 990-994

  Bellenie, Benjamin R ^a   Barton, Nicholas P ^a   Emmons, Amanda J ^a   Heer, Jag P ^a   Salvagno, Cristian ^b  

^a GLAXOSMITHKLINE   (United Kingdom)

^b GSK   (Italy)

Author keywords

Cresset FieldScreen; Hit discovery; Molecular field; Oxytocin; Oxytocin antagonist; Structure based drug design; Vasopressin

Indexed keywords

ATOSIBAN; GSK 221149; OXYTOCIN; OXYTOCIN RECEPTOR; OXYTOCIN RECEPTOR BLOCKING AGENT; RECEPTOR BLOCKING AGENT; UNCLASSIFIED DRUG; VASOPRESSIN; VASOPRESSIN RECEPTOR;

ARTICLE; CONFORMATIONAL TRANSITION; CONTINUOUS INFUSION; DRUG DESIGN; DRUG IDENTIFICATION; DRUG POTENCY; DRUG SCREENING; DRUG SELECTIVITY; DRUG STRUCTURE; DRUG SYNTHESIS; LIGAND BINDING; MOLECULAR WEIGHT; NONHUMAN; PHARMACOPHORE; RECEPTOR AFFINITY; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

CHEMISTRY, PHARMACEUTICAL; DRUG DESIGN; FEMALE; HUMANS; KINETICS; LIGANDS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; OBSTETRIC LABOR, PREMATURE; OXYTOCIN; PREGNANCY; RECEPTORS, OXYTOCIN; RECEPTORS, VASOPRESSIN; VASOPRESSINS; VASOTOCIN;

EID: 58549117672     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2008.11.064     Document Type: Article

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