Novel potent and highly selective human A(3) adenosine receptor antagonists belonging to the 4-amido-2-arylpyrazolo[3,4-c]quinoline series: Molecular docking analysis and pharmacological studies

Colotta, V.; Capelli, F.; Lenzi, O.; Catarzi, D.; Varano, F.; Poli, D.; Vincenzi, F.; Varani, K.; Borea, P. A.; Dal Ben, Diego; Volpini, Rosaria; Cristalli, Gloria; Filacchioni, G.

doi:10.1016/j.bmc.2008.10.018

The study of novel 2-arylpyrazolo[3,4-c]quinolin-4-(hetero)arylamides, designed as human (h) A3 adenosine receptor antagonists, is reported. The new derivatives are endowed with nanomolar hA3 receptor affinity and high selectivity versus hA1, hA2A and hA2B receptors. Among the (hetero)aroyl residues introduced on the 4-amino group, the 2-furyl and 4-pyridyl rings turned out to be the most beneficial for hA3 affinity (Ki = 3.4 and 5.0 nM, respectively). An intensive molecular docking study to a rhodopsin-based homology model of the hA3 receptor was carried out to obtain a 'structure-based pharmacophore model' that proved to be helpful for the interpretation of the observed affinities of the new hA3 pyrazoloquinoline antagonists.

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Titolo:	Novel potent and highly selective human A(3) adenosine receptor antagonists belonging to the 4-amido-2-arylpyrazolo[3,4-c]quinoline series: Molecular docking analysis and pharmacological studies
Autori:	COLOTTA V. CAPELLI F. LENZI O. CATARZI D. VARANO F. POLI D. VINCENZI F. VARANI K. BOREA P. A. DAL BEN, Diego VOLPINI, Rosaria CRISTALLI, Gloria FILACCHIONI G. mostra contributor esterni nascondi contributor esterni
Data di pubblicazione:	2009
Rivista:	BIOORGANIC & MEDICINAL CHEMISTRY
Abstract:	The study of novel 2-arylpyrazolo[3,4-c]quinolin-4-(hetero)arylamides, designed as human (h) A3 adenosine receptor antagonists, is reported. The new derivatives are endowed with nanomolar hA3 receptor affinity and high selectivity versus hA1, hA2A and hA2B receptors. Among the (hetero)aroyl residues introduced on the 4-amino group, the 2-furyl and 4-pyridyl rings turned out to be the most beneficial for hA3 affinity (Ki = 3.4 and 5.0 nM, respectively). An intensive molecular docking study to a rhodopsin-based homology model of the hA3 receptor was carried out to obtain a 'structure-based pharmacophore model' that proved to be helpful for the interpretation of the observed affinities of the new hA3 pyrazoloquinoline antagonists.
Handle:	http://hdl.handle.net/11581/115106
Appare nelle tipologie:	Articolo

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