Nucleic nitrogenous bases complementary: A DFT investigation
Interdisciplinary Laboratory for Research in Bio-resources, Environment and Materials, Cadi Ayyad University, Marrakech, Morocco.
Research Article
Comprehensive Research and Reviews in Chemistry and Pharmacy, 2022, 01(01), 041–050.
Article DOI: 10.57219/crrcp.2022.1.1.0005
Publication history:
Received on 09 August 2022; revised on 16 September 2022; accepted on 19 September 2022
Abstract:
In DNA, the complementarity of the two strands or bases is based on Watson-Crick principle. This associates a complementary base with each base. Thus, to each base A (Adenine) of a strand is associated with a base T (Thymine) of the complementary strand, and vice versa. Moreover, to each C (Cytosine) base of a strand is associated with a G (Guanine) base of the complementary strand, and vice versa. Moreover, the double helix assembly requires an opposite orientation of the two complementary strands, for the reason it can be said that the double helix took an antiparallel orientation. All the heterogeneous combinations of the different DNA bases have been studied theoretically at B3LYP/6–311G (d,p) level of calculation. The results obtained confirm the experimental observations, namely the specific affinity of the following pairs (A/T) and (G/C). The phenomenon of denaturation was also raised by the study. It can be noticed that Adenine and Guanine are purines, while that Cytosine, Thymine and Uracil are pyrimidines.
Keywords:
DNA; Denaturation; DFT; Hydrogen bond; Nitrogenous bases
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