Document Detail

Synthesis, adenosine receptor binding and 3D-QSAR of 4-substituted 2-(2'-furyl)-1,2,4-triazolo[1,5-a]quinoxalines.
MedLine Citation:
PMID:  18249548     Owner:  NLM     Status:  MEDLINE    
A collection of 25 2-(2'-furyl)-1,2,4-triazolo[1,5-a]quinoxalines incorporating different substitution patterns at position 4 have been synthesized and their binding affinity towards human adenosine receptors (hA(1), hA(2A), hA(2B) and hA(3)) was determined. The biological data show that several potent at hA(1), but lightly selective, adenosine ligands were identified. Moreover, these results confirmed the hypothesis that the structural modifications carried out on the 4-position of the tricyclic system produces a remarkable modification of the adenosine receptorial profile. A 3D-QSAR modelling study (GRIND/ALMOND methodology) performed on the hA(1) data gave further support to the pharmacological results, and it is presented as a useful tool for the future design of ligands with better pharmacological profiles.
Ana Martínez; Hugo Gutiérrez-de-Terán; José Brea; Enrique Raviña; Maria Isabel Loza; Maria Isabel Cadavid; Ferran Sanz; Bernat Vidal; Victor Segarra; Eddy Sotelo
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't     Date:  2008-01-24
Journal Detail:
Title:  Bioorganic & medicinal chemistry     Volume:  16     ISSN:  1464-3391     ISO Abbreviation:  Bioorg. Med. Chem.     Publication Date:  2008 Feb 
Date Detail:
Created Date:  2008-02-18     Completed Date:  2008-06-03     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9413298     Medline TA:  Bioorg Med Chem     Country:  England    
Other Details:
Languages:  eng     Pagination:  2103-13     Citation Subset:  IM    
Department of Organic Chemistry, Faculty of Pharmacy, University of Santiago de Compostela, Santiago de Compostela E-15782, Spain.
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MeSH Terms
Protein Binding
Quantitative Structure-Activity Relationship*
Quinoxalines / chemistry*,  pharmacology*
Receptors, Purinergic P1 / metabolism*
Reg. No./Substance:
0/Ligands; 0/Quinoxalines; 0/Receptors, Purinergic P1

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