Search for new antagonist ligands for adenosine receptors from QSAR point of view. How close are we?

✍ Scribed by Maykel Pérez González; Carmen Terán; Marta Teijeira

• Book ID: 102946283
• Publisher: John Wiley and Sons
• Year: 2008
• Tongue: English
• Weight: 548 KB
• Volume: 28
• Category: Article
• ISSN: 0198-6325
• DOI: 10.1002/med.20108

✦ Synopsis

Abstract

In view of the large libraries of nucleoside analogues that are now being handled in organic synthesis, the identification of drug biological activity is advisable prior to synthesis and this can be achieved by employing predictive biological property methods. In this sense, Quantitative Structure–Activity Relationships (QSAR) or docking approaches have emerged as promising tools. Although a large number of in silico approaches have been described in the literature for the prediction of different biological activities, the use of QSAR applications to develop adenosine receptor (AR) antagonists is not common as for the case of the antibiotics and anticancer compounds for instance. The intention of this review is to summarize the present knowledge concerning computational predictions of new molecules as adenosine receptor antagonists. © 2007 Wiley‐Periodicals, Inc. Med Res Rev, 28, No. 3, 329–371, 2008