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dc.creatorSencanski, Milan
dc.creatorŠukalović, Vladimir
dc.creatorShakib, Kaveh
dc.creatorŠoškić, Vukić
dc.creatorDošen-Mićović, Ljiljana
dc.creatorKostić Rajačić, Slađana
dc.date.accessioned2019-01-30T17:41:00Z
dc.date.available2019-01-30T17:41:00Z
dc.date.issued2014
dc.identifier.issn1747-0277
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/1504
dc.description.abstractIn this paper, we report the molecular modeling of the 5HT(2A) receptor and the molecular docking of arylpiperazine-like ligands. The focus of the research was on explaining the effects the ligand structure has on the binding properties of the 5HT(2A) receptor and on the key interactions between the ligands and the receptor-binding site. To see what the receptor-ligand interactions were, various substituents were introduced in one part of the ligand, keeping the rest unchanged. In this way, using a docking analysis on the proposed 5HT(2A) receptor model, we identified key receptor-ligand interactions and determined their properties. Those properties were correlated with experimentally determined binding affinities in order to determine the structure to activity relationship of the examined compounds.en
dc.publisherWiley-Blackwell, Hoboken
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172032/RS//
dc.rightsrestrictedAccess
dc.sourceChemical Biology & Drug Design
dc.subjectarylpiperazineen
dc.subjectdocking simulationsen
dc.subjectmolecular modelingen
dc.subjectserotonineen
dc.titleMolecular Modeling of 5HT(2A) Receptor - Arylpiperazine Ligands Interactionsen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractСхакиб, Кавех; Костић Рајачић, Слађана; Досен-Мицовиц, Љиљана; Соскиц, Вукиц; Сенцански, Милан; Шукаловић, Владимир;
dc.citation.volume83
dc.citation.issue4
dc.citation.spage462
dc.citation.epage471
dc.citation.other83(4): 462-471
dc.citation.rankM22
dc.identifier.pmid24772489
dc.identifier.doi10.1111/cbdd.12261
dc.identifier.rcubConv_3128
dc.identifier.scopus2-s2.0-84898986645
dc.identifier.wos000332886400009
dc.type.versionpublishedVersion


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