dc.creator | Šoškić, Vukić | |
dc.creator | Šukalović, Vladimir | |
dc.creator | Kostić Rajačić, Slađana | |
dc.date.accessioned | 2019-01-30T17:43:28Z | |
dc.date.available | 2019-01-30T17:43:28Z | |
dc.date.issued | 2015 | |
dc.identifier.issn | 1389-5575 | |
dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/1619 | |
dc.description.abstract | The crystal structures of the D3 dopamine receptor and several other G-protein coupled receptors (GPCRs) were published in recent times. Those 3D structures are used by us and other scientists as a template for the homology modeling and ligand docking analysis of related GPCRs. Our main scientific interest lies in the field of pharmacologically active N-arylpiperazines that exhibit antipsychotic and/or antidepressant properties, and as such are dopaminergic and serotonergic receptor ligands. In this short review article we are presenting synthesis and biological data on the new N-arylpipereazine as well our results on molecular modeling of the interactions of those N-arylpiperazines with the model of D2 dopamine receptors. To obtain that model the crystal structure of the D3 dopamine receptor was used. Our results show that the N-arylpiperazines binding site consists of two pockets: one is the orthosteric binding site where the N-arylpiperazine part of the ligand is docked and the second is a non-canonical accessory binding site for N-arylpipereazine that is formed by a second extracellular loop (ecl2) of the receptor. Until now, the structure of this receptor region was unresolved in crystal structure analyses of the D3 dopamine receptor. To get a more complete picture of the ligand - receptor interaction, DFT quantum mechanical calculations on N-arylpiperazine were performed and the obtained models were used to examine those interactions. | en |
dc.publisher | Bentham Science Publ Ltd, Sharjah | |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172032/RS// | |
dc.rights | restrictedAccess | |
dc.source | Mini-Reviews in Medicinal Chemistry | |
dc.subject | Dopamine D2 receptor | en |
dc.subject | G-protein coupled receptors | en |
dc.subject | molecular modelling | en |
dc.subject | N-arylpiperazines | en |
dc.title | Exploration of N-arylpiperazine Binding Sites of D2 Dopaminergic Receptor | en |
dc.type | article | |
dc.rights.license | ARR | |
dcterms.abstract | Костић Рајачић, Слађана; Соскиц, Вукиц; Шукаловић, Владимир; | |
dc.citation.volume | 15 | |
dc.citation.issue | 12 | |
dc.citation.spage | 988 | |
dc.citation.epage | 1001 | |
dc.citation.other | 15(12): 988-1001 | |
dc.citation.rank | M22 | |
dc.identifier.pmid | 25723457 | |
dc.identifier.doi | 10.2174/138955751512150731112448 | |
dc.identifier.scopus | 2-s2.0-84939832374 | |
dc.identifier.wos | 000358803500005 | |
dc.type.version | publishedVersion | |