Molecular modeling of the neurohypophyseal receptor/atosiban complexes

Magdalena J Slusarz; Rafał Slusarz; Rajmund Kaźmierkiewicz; Jerzy Trojnar; Kazimierz Wisniewski; Jerzy Ciarkowski

doi:10.2174/0929866033478898

Molecular modeling of the neurohypophyseal receptor/atosiban complexes

Protein Pept Lett. 2003 Jun;10(3):295-302. doi: 10.2174/0929866033478898.

Authors

Magdalena J Slusarz¹, Rafał Slusarz, Rajmund Kaźmierkiewicz, Jerzy Trojnar, Kazimierz Wisniewski, Jerzy Ciarkowski

Affiliation

¹ Faculty of Chemistry, University of Gdán sk, Sobieskiego 18, 80-952 Gdańsk, Poland.

PMID: 12871142
DOI: 10.2174/0929866033478898

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.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Amino Acids / chemistry
Binding Sites
Computer Simulation
Hormone Antagonists / metabolism*
Humans
Models, Molecular*
Protein Conformation
Receptors, Oxytocin / metabolism*
Receptors, Vasopressin / metabolism*
Vasotocin / analogs & derivatives*
Vasotocin / metabolism*

Substances

Amino Acids
Hormone Antagonists
Receptors, Oxytocin
Receptors, Vasopressin
atosiban
Vasotocin