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dc.creatorPenjišević, Jelena
dc.creatorŠukalović, Vladimir
dc.creatorAndrić, Deana
dc.creatorRoglić, Goran
dc.creatorŠoškić, Vukić
dc.creatorKostić Rajačić, Slađana
dc.date.accessioned2019-01-30T17:48:52Z
dc.date.available2019-01-30T17:48:52Z
dc.date.issued2016
dc.identifier.issn0365-6233
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/1880
dc.description.abstractSixteen new 1-(2-methoxyphenyl)-4-(1-phenethylpiperidin-4-yl)piperazines and 1-(2-methoxyphenyl)-4-[(1-phenethylpiperidin-4-yl)methyl]piperazines were synthesized to be used as probes for mapping the dopamine D-2 receptor (D(2)DAR) arylpiperazine binding site. All compounds were evaluated for their affinity toward D(2)DAR in an in vitro competitive displacement assay. The most active one was 1-(2-methoxyphenyl)-4-{[1-(3-nitrophenethyl)piperidin-4-yl]methyl}piperazine (25) with an affinity of K-i = 54 nM. Docking analysis was conducted on all herein described compounds, whereas molecular dynamic simulation was performed on ligand 25 to establish its mode of interaction with D(2)DAR. Two possible docking orientations are proposed; the one with a salt bridge between the piperidine moiety and Asp114 of D(2)DAR is more stable.en
dc.publisherWiley-V C H Verlag Gmbh, Weinheim
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172032/RS//
dc.rightsrestrictedAccess
dc.sourceArchiv der Pharmazie
dc.subjectDocking analysisen
dc.subjectDopamine D-2 receptorsen
dc.subjectN-Arylpiperazinesen
dc.titleSynthesis, Biological, and Computational Evaluation of Substituted 1-(2-Methoxyphenyl)-4-(1-phenethylpiperidin-4-yl)piperazines and 1-(2-Methoxyphenyl)-4-[(1-phenethylpiperidin-4-yl)methyl]piperazines as Dopaminergic Ligandsen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractШукаловић, Владимир; Костић Рајачић, Слађана; Aндриц, Деана Б; Соскиц, Вукиц; Роглиц, Горан М; Пењишевић, Јелена;
dc.citation.volume349
dc.citation.issue8
dc.citation.spage614
dc.citation.epage626
dc.citation.other349(8): 614-626
dc.citation.rankM22
dc.identifier.pmid27335270
dc.identifier.doi10.1002/ardp.201600081
dc.identifier.rcubConv_3572
dc.identifier.scopus2-s2.0-84982803374
dc.identifier.wos000380903600004
dc.type.versionpublishedVersion


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