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Investigation of key interactions between the second extracellular loop of the dopamine D2 receptor and several hydroxy-N-{[2-(4-phenylpiperazin-1-yl)ethyl]phenyl}nicotinamides

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2014
1486.pdf (277.7Kb)
Authors
Šukalović, Vladimir
Šoškić, Vukić
Ignjatović, Đurđica S.
Andrić, Deana
Penjišević, Jelena
Kostić Rajačić, Slađana
Article (Published version)
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Abstract
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.
Keywords:
arylpiperazine / G protein-coupled receptors / docking / molecular modeling
Source:
Journal of the Serbian Chemical Society, 2014, 79, 12, 1461-1467
Publisher:
  • Serbian Chemical Soc, Belgrade
Projects:
  • Structure-activity relationship of newly synthesized biological active compound (RS-172032)

DOI: 10.2298/JSC140423070S

ISSN: 0352-5139

WoS: 000348749400001

Scopus: 2-s2.0-84920829324
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URI
http://cer.ihtm.bg.ac.rs/handle/123456789/1488
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  • Radovi istraživača / Researchers' publications
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IHTM

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