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dc.creatorSenčanski, Milan
dc.creatorIvanović, Milovan
dc.creatorDošen-Mićović, Ljiljana
dc.date.accessioned2018-11-22T00:28:21Z
dc.date.available2018-11-22T00:28:21Z
dc.date.issued2014
dc.identifier.issn2585-7290
dc.identifier.urihttp://cherry.chem.bg.ac.rs/handle/123456789/1801
dc.description.abstractAn opioid receptor like (ORL1) receptor is one of a family of G-protein-coupled receptors (GPCR); it represents a new pharmaceutical target with extensive therapeutic potential for the regulation of important biological functions such as nociception, mood disorders, drug abuse, learning or cardiovascular control. Although the crystal structure of the inactive form of the ORL1 receptor has been determined, little is known about its activation. By using X-ray structures of the beta 2-adrenegic receptor in its inactive (2RH1) and active (3P0G) states as templates, inactive and active homology models of the ORL1 receptor were constructed. Structurally diverse sets of strongly binding antagonists and agonists were docked with both ORL1 receptor forms. The major receptor-ligand interactions responsible for antagonist and agonist binding were identified. Although both sets of ligands, agonists and antagonists, bind to the same region of the receptor, they occupy partially different binding pockets. Agonists bind to the inactive receptor in a slightly different manner than antagonists. This difference is more pronounced in binding to the active ORL1 receptor model and points to the amino acids at the extracellular end of TM6, suggesting that this region is important for receptor-activation. (C) 2014 Institute of Chemistry, Slovak Academy of Sciencesen
dc.publisherSpringer International Publishing Ag, Cham
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172032/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS//
dc.rightsrestrictedAccess
dc.sourceCHEMICAL PAPERS
dc.subjectmolecular modellingen
dc.subjectORL1 receptoren
dc.subjectligand-receptor interactionsen
dc.subjectdocking simulationen
dc.subjectmolecular dynamicsen
dc.titleModelling of ORL1 receptor-ligand interactionsen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractСенцански, Милан; Ивановић, Милован; Досен-Мицовиц, Љиљана;
dc.citation.volume68
dc.citation.issue10
dc.citation.spage1305
dc.citation.epage1316
dc.identifier.wos000338283600003
dc.identifier.doi10.2478/s11696-014-0577-z
dc.citation.other68(10): 1305-1316
dc.type.versionpublishedVersionen
dc.identifier.scopus2-s2.0-84903700431
dc.identifier.rcubKon_2684


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