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Exploring the QSAR of pyrazolo[3,4-b]pyridine, pyrazolo[3,4-b]pyridone and pyrazolo[3,4-b] pyrimidine derivatives as antagonists for A adenosine receptor

QSAR and Combinatorial Science, ISSN: 1611-0218, Vol: 28, Issue: 4, Page: 426-435
2009
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Article Description

Pyrazolo[3,4-b]pyridines have been recently presented as a novel class of adenosine A receptor antagonists. Depending on substitutions on some key positions of their scaffold they show selectivity towards A, A or A receptors, which results in a variety of therapeutic potentialities of these ligands. In this work, we present a QSAR study on these analogues as antagonists for adenosine A receptors. Using the MOE software we identified a pool of descriptors that numerically describes the ligand features impacting the affinity at adenosine A receptors. The obtained information is useful to understand the main structural features that strongly correlate with the A antagonism in this class of compounds and will be used for the rational design of more potent and selective pyrazolo[3,4-b]pyridine derivatives. © 2009 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bibliographic Details

Elena Cichero; Giulia Menozzi; Luisa Mosti; Paola Fossa; Chiara Casolino

Wiley

Pharmacology, Toxicology and Pharmaceutics; Computer Science; Chemistry

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