Abstract：
:Adenosine receptor antagonists are generally based on heterocyclic core structures presenting substituents of various volumes and chemical-physical profiles. Adenine and purine-based adenosine receptor antagonists have been reported in literature. In this work we combined various substituents in the 2, 6, and 8-positions of 9-ethylpurine to depict a structure-affinity relationship analysis at the human adenosine receptors. Compounds were rationally designed trough molecular modeling analysis and then synthesized and evaluated at radioligand binding studies at human adenosine receptors. The new compounds showed affinity for the human adenosine receptors, with some derivatives endowed with low nanomolar Ki data, in particular at the A2AAR subtype. The purine core proves to be a versatile core structure for the development of novel adenosine receptor antagonists with nanomolar affinity for these membrane proteins.
journal_name
Bioorg Chemjournal_title
Bioorganic chemistryauthors
Lambertucci C,Spinaci A,Buccioni M,Dal Ben D,Ngouadjeu Ngnintedem MA,Kachler S,Marucci G,Klotz KN,Volpini Rdoi
10.1016/j.bioorg.2019.103183subject
Has Abstractpub_date
2019-11-01 00:00:00pages
103183eissn
0045-2068issn
1090-2120pii
S0045-2068(19)30707-2journal_volume
92pub_type
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