Please use this identifier to cite or link to this item:
https://doi.org/10.1016/j.bmcl.2011.03.073
DC Field | Value | |
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dc.title | Pharmacophore elucidation for a new series of 2-aryl-pyrazolo-triazolo- pyrimidines as potent human A3 adenosine receptor antagonists | |
dc.contributor.author | Cheong, S.L. | |
dc.contributor.author | Federico, S. | |
dc.contributor.author | Venkatesan, G. | |
dc.contributor.author | Paira, P. | |
dc.contributor.author | Shao, Y.-M. | |
dc.contributor.author | Spalluto, G. | |
dc.contributor.author | Yap, C.W. | |
dc.contributor.author | Pastorin, G. | |
dc.date.accessioned | 2014-10-29T01:56:45Z | |
dc.date.available | 2014-10-29T01:56:45Z | |
dc.date.issued | 2011-05-15 | |
dc.identifier.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 | |
dc.identifier.issn | 0960894X | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/106211 | |
dc.description.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. | |
dc.description.uri | http://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1016/j.bmcl.2011.03.073 | |
dc.source | Scopus | |
dc.subject | 2-Aryl-pyrazolo-triazolo- pyrimidine | |
dc.subject | CoMFA | |
dc.subject | hA3 Adenosine receptor antagonists | |
dc.subject | QSAR | |
dc.type | Article | |
dc.contributor.department | PHARMACY | |
dc.description.doi | 10.1016/j.bmcl.2011.03.073 | |
dc.description.sourcetitle | Bioorganic and Medicinal Chemistry Letters | |
dc.description.volume | 21 | |
dc.description.issue | 10 | |
dc.description.page | 2898-2905 | |
dc.description.coden | BMCLE | |
dc.identifier.isiut | 000290024200022 | |
Appears in Collections: | Staff Publications |
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