Please use this identifier to cite or link to this item:
|Title:||Pharmacophore elucidation for a new series of 2-aryl-pyrazolo-triazolo- pyrimidines as potent human A3 adenosine receptor antagonists|
|Authors:||Cheong, S.L. |
hA3 Adenosine receptor antagonists
|Citation:||Cheong, S.L., Federico, S., Venkatesan, G., Paira, P., Shao, Y.-M., Spalluto, G., Yap, C.W., Pastorin, G. (2011-05-15). Pharmacophore elucidation for a new series of 2-aryl-pyrazolo-triazolo- pyrimidines as potent human A3 adenosine receptor antagonists. Bioorganic and Medicinal Chemistry Letters 21 (10) : 2898-2905. ScholarBank@NUS Repository. https://doi.org/10.1016/j.bmcl.2011.03.073|
|Abstract:||A ligand-based pharmacophore was obtained for a new series of 2-unsubstituted and 2-(para-substituted)phenyl-pyrazolo-triazolo-pyrimidines as potent human A3 adenosine receptor antagonists. Through comparative molecular field analysis-based quantitative structure-activity relationship studies, structural features at the N5-, N8- and C 2-positions of the tricyclic nucleus were deeply investigated, with emphasis given to the unprecedentedly explored C2-position. The resulting model showed good correlation and predictability (r2 = 0.936; q2 = 0.703; rpred 2=0.663). Overall, the contribution of steric effect was found relatively more predominant for the optimal interaction of these antagonists to the human A3 receptor. © 2011 Elsevier Ltd. All rights reserved.|
|Source Title:||Bioorganic and Medicinal Chemistry Letters|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Nov 9, 2018
WEB OF SCIENCETM
checked on Oct 31, 2018
checked on Oct 26, 2018
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.