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dc.creatorŠukalović, Vladimir
dc.creatorŠoškić, Vukić
dc.creatorSenćanski, Milan
dc.creatorAndrić, Deana
dc.creatorKostić Rajačić, Slađana
dc.date.accessioned2019-01-30T17:37:48Z
dc.date.available2019-01-30T17:37:48Z
dc.date.issued2013
dc.identifier.issn1610-2940
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/1349
dc.description.abstractInterest in structure-based G-protein-coupled receptor (GPCR) ligand discovery is huge, given that almost 30 % of all approved drugs belong to this category of active compounds. The GPCR family includes the dopamine receptor subtype D2 (D2DR), but unfortunately-as is true of most GPCRs-no experimental structures are available for these receptors. In this publication, we present the molecular model of D2DR based on the previously published crystal structure of the dopamine D3 receptor (D3DR). A molecular modeling study using homology modeling and docking simulation provided a rational explanation for the behavior of the arylpiperazine ligand. The observed binding modes and receptor-ligand interactions provided us with fresh clues about how to optimize selectivity for D2DR receptors.en
dc.publisherSpringer, New York
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171017/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172032/RS//
dc.relationEuropean Commission
dc.rightsrestrictedAccess
dc.sourceJournal of Molecular Modeling
dc.subjectDopamineen
dc.subjectMolecular modelingen
dc.subjectArylpiperazineen
dc.subjectDocking simulationsen
dc.titleDetermination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology modelen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractКостић Рајачић, Слађана; Сенцански, Милан; Соскиц, Вукиц; Aндриц, Деана; Шукаловић, Владимир;
dc.citation.volume19
dc.citation.issue4
dc.citation.spage1751
dc.citation.epage1762
dc.citation.other19(4): 1751-1762
dc.citation.rankM21
dc.identifier.pmid23300056
dc.identifier.doi10.1007/s00894-012-1731-6
dc.identifier.rcubConv_2951
dc.identifier.scopus2-s2.0-84876408838
dc.identifier.wos000316677600027
dc.type.versionpublishedVersion


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