Molecular modelling study of 2-phenylethynyladenosine (PEAdo) derivatives as highly selective A₃ adenosine receptor ligands.

ABSTRACT: A series of 2-phenylethynyladenosine (PEAdo) derivatives substituted in the N⁶- and 4'-position was synthesised and the new derivatives were tested at the four human adenosine receptors stably transfected into Chinese hamster ovary (CHO) cells, using radioligand binding studies (A₁, A(₂A), A₃) or adenylyl cyclase activity assay (A(₂B)). Binding studies showed that the presence of a phenyl ethynyl group in the 2 position of adenosine favoured the interaction with A₃ receptors, resulting in compounds endowed with high affinity and selectivity for the A₃ subtype. Additional substitution of the N⁶- and 4'-position increases both A₃ affinity and selectivity. The results showed that the new compounds have a good affinity for the A₃ receptor and in particular, the N⁶-methoxy-2-phenylethynyl-5'-N-

SUBMITTER: Dal Ben D 

PROVIDER: S-EPMC2096654 | biostudies-literature | 2006 Nov

REPOSITORIES: biostudies-literature