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Search for new antagonist ligands for adenosine receptors from QSAR point of view. How close are we?
Author(s) -
González Maykel Pérez,
Terán Carmen,
Teijeira Marta
Publication year - 2008
Publication title -
medicinal research reviews
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.868
H-Index - 130
eISSN - 1098-1128
pISSN - 0198-6325
DOI - 10.1002/med.20108
Subject(s) - quantitative structure–activity relationship , in silico , computational biology , adenosine receptor , adenosine , docking (animal) , nucleoside , combinatorial chemistry , drug discovery , chemistry , identification (biology) , computer science , stereochemistry , receptor , biology , biochemistry , medicine , botany , nursing , gene , agonist
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