Abstract
Extended Huckel Theory has been used to study the rotation around the glycosidic linkage in a 5′deoxyribonucleotide: deoxyguanosine 5′monophosphate. The aim of this paper is on one hand to verify, by theoretical quantum method, the proposal of Sundaralingam on the rigidity of nucleotides and on the other hand to compare the behavior of a nucleotide with a guanine base to that of the corresponding nucleoside. It is known that guanosine may possess a syn or anti conformation according to the medium in which this nucleoside is studied. Our calculations have shown that the syn conformation is favoured because of a stabilizing intramolecular interaction coming from the NH2 group. But it must be noticed that the anti conformation is also allowed, so this quantum theoretical study confirms the flexibility of deoxyguanosine 5′monophosphate.
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