Synthesis, adenosine receptor binding and 3D-QSAR of 4-substituted 2-(2'-furyl)-1,2,4-triazolo[1,5-a]quinoxalines

Bioorg Med Chem. 2008 Feb 15;16(4):2103-13. doi: 10.1016/j.bmc.2007.10.103. Epub 2008 Jan 24.

Abstract

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Humans
  • Ligands
  • Protein Binding
  • Quantitative Structure-Activity Relationship*
  • Quinoxalines / chemistry*
  • Quinoxalines / pharmacology*
  • Receptors, Purinergic P1 / metabolism*

Substances

  • Ligands
  • Quinoxalines
  • Receptors, Purinergic P1