Conformational Studies on Deoxyribonucleosides of C6-Substituted Pyrimidines

Abstract

Conformational energy calculations have been presented on 6-methyl-2′-deoxyuridine using molecular mechanics and conformational analysis. The results are presented in terms of isoenergy contours in the conformational space of the glycosidic (χ) and C4′-C5′ (γ) bonds torsions, for three commonly found furanose geometry, C2′ endo, C3′ endo and O1′endo. The χ-γ interrelationships are very similar to those previously calculated for unmodified nucleosides and nucleotides.