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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
Funding / 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
[ Google Scholar ]
URI
https://cer.ihtm.bg.ac.rs/handle/123456789/1488
Collections
  • Radovi istraživača / Researchers' publications
Institution/Community
IHTM
TY  - JOUR
AU  - Šukalović, Vladimir
AU  - Šoškić, Vukić
AU  - Ignjatović, Đurđica S.
AU  - Andrić, Deana
AU  - Penjišević, Jelena
AU  - Kostić Rajačić, Slađana
PY  - 2014
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1488
AB  - 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.
PB  - Serbian Chemical Soc, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - 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
VL  - 79
IS  - 12
SP  - 1461
EP  - 1467
DO  - 10.2298/JSC140423070S
ER  - 
@article{
author = "Šukalović, Vladimir and Šoškić, Vukić and Ignjatović, Đurđica S. and Andrić, Deana and Penjišević, Jelena and Kostić Rajačić, Slađana",
year = "2014",
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.",
publisher = "Serbian Chemical Soc, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "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",
volume = "79",
number = "12",
pages = "1461-1467",
doi = "10.2298/JSC140423070S"
}
Šukalović, V., Šoškić, V., Ignjatović, Đ. S., Andrić, D., Penjišević, J.,& Kostić Rajačić, S.. (2014). 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. in Journal of the Serbian Chemical Society
Serbian Chemical Soc, Belgrade., 79(12), 1461-1467.
https://doi.org/10.2298/JSC140423070S
Šukalović V, Šoškić V, Ignjatović ĐS, Andrić D, Penjišević J, Kostić Rajačić S. 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. in Journal of the Serbian Chemical Society. 2014;79(12):1461-1467.
doi:10.2298/JSC140423070S .
Šukalović, Vladimir, Šoškić, Vukić, Ignjatović, Đurđica S., Andrić, Deana, Penjišević, Jelena, Kostić Rajačić, Slađana, "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" in Journal of the Serbian Chemical Society, 79, no. 12 (2014):1461-1467,
https://doi.org/10.2298/JSC140423070S . .

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