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dc.creatorPenjišević, Jelena
dc.creatorAndrić, Deana
dc.creatorŠukalović, Vladimir
dc.creatorRoglić, Goran
dc.creatorŠoškić, Vukić
dc.creatorKostić Rajačić, Slađana
dc.date.accessioned2019-09-20T14:12:56Z
dc.date.available2019-09-20T14:12:56Z
dc.date.issued2019
dc.identifier.issn0352-5139
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/3097
dc.description.abstractA total of 14 novel arylpiperazines were synthesized, and pharmacologically evaluated by measuring their affinities towards the D2 dopamine receptor (D2DR) in a [3H]spiperone competition assay. All herein described compounds consist of a benzimidazole moiety connected to the N-(2-methoxyphenyl)piperazine via linkers of various lengths. Molecular docking analysis and molecular dynamics simulations were performed on D2DR-arylpiperazine complexes with anobjective to explore the receptor-ligand interactions and properties of the receptor binding site. Crystal structure of D2DR that has been published recently was used throughout this study.The major finding is that high affinity arylpiperazines must interact with both the orthosteric binding site and the extended binding pocket of D2DR and thereforeshould contain a linker of 5 or 6 methylene groups long.sr
dc.language.isoensr
dc.publisherSerbian Chemical Societysr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172032/RS//sr
dc.rightsopenAccesssr
dc.sourceJournal of the Serbian Chemical Societysr
dc.subjectarylpiperazinessr
dc.subjectmolecular dynamicssr
dc.subjectmolecular dockingsr
dc.subjectreceptor bind sitesr
dc.titleSynthesis of novel piperazino-alkyl-1H-benzo[d]imidazole derivates and assessment of their interactions with the D2 dopamine receptorsr
dc.typearticlesr
dc.rights.licenseBY-NC-NDsr
dcterms.abstractAндрић, Деана Б.; Шукаловић, Владимир; Роглић, Горан; Шошкић, Вукић; Костић Рајачић, Слађана; Пењишевић, Јелена З.;
dc.citation.volume84
dc.citation.issue9
dc.citation.spage925
dc.citation.epage934
dc.citation.rankM23~
dc.description.otherThe peer-reviewed version: [http://cer.ihtm.bg.ac.rs/handle/123456789/2654]sr
dc.identifier.doi10.2298/JSC181029104P
dc.identifier.fulltexthttp://cer.ihtm.bg.ac.rs/bitstream/id/14114/penjisevic_0352-51391800104P.pdf
dc.identifier.scopus2-s2.0-85073035002
dc.identifier.wos000489023300001
dc.type.versionpublishedVersionsr


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