Interactions of N-{[2-(4-phenyl-piperazin-1-yl)-ethyl]-phenyl}-2-aryl-2-yl-acetamides and 1-{[2-(4-phenyl-piperazin-1-yl)-ethyl]-phenyl}-3-aryl-2-yl-ureas with dopamine D-2 and 5-hydroxytryptamine 5HT(1A) receptor
2012
Authors:
Šukalović, VladimirIgnjatović, Đurđica
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Tovilović-Kovačević, Gordana
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Andrić, Deana
Shakib, Kaveh
Kostić-Rajačić, Slađana
Šoškić, Vukić
Document Type:
Article (Published version)
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© 2012 Elsevier Ltd.
Metadata
Show full item recordAbstract:
It is suggested that the ratio of dopamine D2 to 5-hydroxytryptamine 5-HT1A activity is an important
parameter that determines the efficiency of antipsychotic drugs. Here we present the synthesis of
N-{[2-(4-phenyl-piperazin-1-yl)-ethyl]-phenyl}-2-aryl-2-yl-acetamides and 1-{[2-(4-phenyl-piperazin-
1-yl)-ethyl]-phenyl}-3-aryl-2-yl-ureas and their structure–activity relationship studies on dopamine D2
and 5-hydrohytryptamine 5-HT1A receptors. It was shown that ligand selectivity and affinity strongly
depends on their topology and the presence of a pyridyl group in the head of molecules. Molecular modeling studies using homology modeling and docking simulation revealed a rational explanation for the
ligand behavior. The observed binding modes and receptor–ligand interactions provided us with a clue
for optimizing the optimal selectivity towards 5-HT1A receptors.
Keywords:
Dopamine; 5-Hydroxytryptamine; Receptor; Arylpiperazine; Molecular dockingSource:
Bioorganic and Medicinal Chemistry Letters, 2012, 22, 12, 3967-3972Funding / projects:
- Structure-activity relationship of newly synthesized biological active compound (RS-MESTD-Basic Research (BR or ON)-172032)
DOI: 10.1016/j.bmcl.2012.04.098
ISSN: 0960-894X
PubMed: 22607670