Investigation of key interactions between the second extracellular loop of dopamine D2 receptor and several hydroxy-N-{[2-(4-phenyl-piperaziny-1-yl)ethyl]phenyl}-nicotinamides
2014
Аутори:
Šukalović, VladimirŠoškić, Vukić
Ignjatović, Đurđica
Andrić, Deana
Penjišević, Jelena
Kostić-Rajačić, Slađana
Тип документа:
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт:
The dopaminergic receptor system has been the focus for the development
of new pharmacotherapeutic agents targeting a number of central nervous
system related disorders, such as drug addiction, schizophrenia,
depression, and Parkinson's disease, to name just a few. To date, the
crystal structure for the human D2 receptor is not known, despite its
vital function and importance as a therapeutic target. Herein, a recent
advancement in the determination of key receptor ligand interactions for
the available arylpiperazine-like ligands, using a D2 receptor model
based on the crystal structure of the D3 receptor is presented. To
determine key interactions responsible for high dopaminergic activity,
computer-docking analysis was used together with experimental data. A
total of 4 dopaminergic ligands showing moderate to high affinity were
tested and the obtained results rationalized using ligand structures
docked into the proposed D2 receptor model.
Кључне речи:
arylpiperazine; G protein-coupled receptors; docking; molecular modelingИзвор:
Journal of the Serbian Chemical Society, 2014, 79, 12, 1461-1467
DOI: 10.2298/JSC140423070S
ISSN: 0352-5139