title: Modeling binding modes of angiotensin II and pseudopeptide analogues to the AT2 receptor.
abstract: The 3D model of the AT2 receptor has been built employing homology to the transmembrane domain of rhodopsin and a novel build-up procedure for restoring the extracellular loops. By docking a model peptide of angiotensin II in the AT2 receptor model two plausible binding modes were identified. These binding modes were in agreement with most of the suggested ligand-receptor contact points reported in the literature. Eight active and one inactive pseudopeptide angiotensin II analogue were also docked in the receptor and four of the active pseudopeptides were found to mimic the binding mode of angiotensin II. An alternative binding mode for the other four active pseudopeptides was found.
authors.affiliation: Department of Medicinal Chemistry, Division of Organic Pharmaceutical Chemistry, BMC, Uppsala University, PO Box 574, SE-751 23 Uppsala, Sweden.
authors.forename: Christian
authors.initials: C
authors.lastname: Sköld
authors.forename: Gregory
authors.initials: G
authors.lastname: Nikiforovich
authors.forename: Anders
authors.initials: A
authors.lastname: Karlén
mesh_terms: D000804:Angiotensin II / Q000031:analogs & derivatives* / Q000737:chemistry / Q000235:genetics / Q000378:metabolism*; D000818:Animals; D001665:Binding Sites; D005260:Female; D008024:Ligands; D008956:Models, Chemical; D008958:Models, Molecular; D009215:Myometrium / Q000378:metabolism; D009842:Oligopeptides / Q000737:chemistry / Q000378:metabolism*; D011485:Protein Binding; D011487:Protein Conformation; D017434:Protein Structure, Tertiary; D044139:Receptor, Angiotensin, Type 2 / Q000737:chemistry / Q000235:genetics / Q000378:metabolism*; D012243:Rhodopsin / Q000737:chemistry; D040681:Structural Homology, Protein; D013552:Swine
chemical_list: D008024:Ligands; D009842:Oligopeptides; D044139:Receptor, Angiotensin, Type 2; D000804:Angiotensin II; D012243:Rhodopsin