Приказ основних података о документу
Determination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model
dc.creator | Šukalović, Vladimir | |
dc.creator | Šoškić, Vukić | |
dc.creator | Senćanski, Milan | |
dc.creator | Andrić, Deana | |
dc.creator | Kostić Rajačić, Slađana | |
dc.date.accessioned | 2019-01-30T17:37:48Z | |
dc.date.available | 2019-01-30T17:37:48Z | |
dc.date.issued | 2013 | |
dc.identifier.issn | 1610-2940 | |
dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/1349 | |
dc.description.abstract | Interest 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.publisher | Springer, New York | |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171017/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172032/RS// | |
dc.relation | European Commission | |
dc.rights | restrictedAccess | |
dc.source | Journal of Molecular Modeling | |
dc.subject | Dopamine | en |
dc.subject | Molecular modeling | en |
dc.subject | Arylpiperazine | en |
dc.subject | Docking simulations | en |
dc.title | Determination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model | en |
dc.type | article | |
dc.rights.license | ARR | |
dcterms.abstract | Костић Рајачић, Слађана; Сенцански, Милан; Соскиц, Вукиц; Aндриц, Деана; Шукаловић, Владимир; | |
dc.citation.volume | 19 | |
dc.citation.issue | 4 | |
dc.citation.spage | 1751 | |
dc.citation.epage | 1762 | |
dc.citation.other | 19(4): 1751-1762 | |
dc.citation.rank | M21 | |
dc.identifier.pmid | 23300056 | |
dc.identifier.doi | 10.1007/s00894-012-1731-6 | |
dc.identifier.scopus | 2-s2.0-84876408838 | |
dc.identifier.wos | 000316677600027 | |
dc.type.version | publishedVersion |