title: Molecular modeling of the neurohypophyseal receptor/atosiban complexes.
abstract: The neurohypophyseal nonapeptide hormone oxytocin (OT) is the strongest uterotonic substance known and is responsible for the initiation of labor. Conversely, oxytocin antagonists blocking uterine OT receptor can suppress uterus contraction. In this paper we describe a computer simulated docking pertinent to affinity of an oxytocin antagonist atosiban towards OT receptor, versus vasopressin V1a and V2 receptors.
authors.affiliation: Faculty of Chemistry, University of Gdán sk, Sobieskiego 18, 80-952 Gdańsk, Poland.
authors.forename: Magdalena J
authors.initials: MJ
authors.lastname: Slusarz
authors.forename: Rafał
authors.initials: R
authors.lastname: Slusarz
authors.forename: Rajmund
authors.initials: R
authors.lastname: Kaźmierkiewicz
authors.forename: Jerzy
authors.initials: J
authors.lastname: Trojnar
authors.forename: Kazimierz
authors.initials: K
authors.lastname: Wisniewski
authors.forename: Jerzy
authors.initials: J
authors.lastname: Ciarkowski
mesh_terms: D000596:Amino Acids / Q000737:chemistry; D001665:Binding Sites; D003198:Computer Simulation; D006727:Hormone Antagonists / Q000378:metabolism*; D006801:Humans; D008958:Models, Molecular; D011487:Protein Conformation; D018045:Receptors, Oxytocin / Q000378:metabolism*; D017483:Receptors, Vasopressin / Q000378:metabolism*; D014668:Vasotocin / Q000031:analogs & derivatives* / Q000378:metabolism*
chemical_list: D000596:Amino Acids; D006727:Hormone Antagonists; D018045:Receptors, Oxytocin; D017483:Receptors, Vasopressin; C047046:atosiban; D014668:Vasotocin