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

2014
Authors
Šukalović, Vladimir
Šoškić, Vukić

Ignjatović, Đurđica S.

Andrić, Deana

Penjišević, Jelena

Kostić Rajačić, Slađana

Article (Published version)
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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 modelingSource:
Journal of the Serbian Chemical Society, 2014, 79, 12, 1461-1467Publisher:
- Serbian Chemical Soc, Belgrade
Funding / projects:
DOI: 10.2298/JSC140423070S
ISSN: 0352-5139
WoS: 000348749400001
Scopus: 2-s2.0-84920829324
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IHTMTY - 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 . .