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Structure-Based Design, Synthesis by Click Chemistry and in Vivo Activity of Highly Selective A₃ Adenosine Receptor Agonists.

ABSTRACT: 2-Arylethynyl derivatives of (N)-methanocarba adenosine 5'-uronamides are selective A₃AR (adenosine receptor) agonists. Here we substitute a 1,2,3-triazol-1-yl linker in place of the rigid, linear ethynyl group to eliminate its potential metabolic liability. Docking of nucleosides containing possible short linker moieties at the adenine C2 position using a hybrid molecular model of the A₃AR (based on the A_2AAR agonist-bound structure) correctly predicted that a triazole would maintain the A₃AR selectivity, due to its ability to fit a narrow cleft in the receptor. The analogues with various N⁶ and C2-aryltriazolyl substitution were synthesized and characterized in binding (K_i at hA₃AR 0.3 - 12 nM) and in

SUBMITTER: Tosh DK

PROVIDER: S-EPMC4517612 | biostudies-literature | 2015

REPOSITORIES: biostudies-literature

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Structure-Based Design, Synthesis by Click Chemistry and in Vivo Activity of Highly Selective A₃ Adenosine Receptor Agonists.

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Structure-Based Design, Synthesis by Click Chemistry and in Vivo Activity of Highly Selective A3 Adenosine Receptor Agonists.

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Structure-Based Design, Synthesis by Click Chemistry and in Vivo Activity of Highly Selective A₃ Adenosine Receptor Agonists.