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Information × Registration Number 0212U004709, 0111U009244 , R & D reports Title Conformational analysis of nucleic acid constituents as as key to understanding their biological activity popup.stage_title Head Yurenko Yevgen, Registration Date 23-01-2012 Organization Institute of Molecular Biology and Genetics popup.description2 Based on simple models (2'-deoxyribonucleosides and Watson-Crick pairs of nucleosides) high-level quantum-chemical calculations were performed in order to determine the microstructural characteristics of A and B forms of DNA. It turned out that the B form is more heterogeneous, since the B-like conformers of nucleosides are characterized by large scatter of torsion angles and the values of the Gibbs free energy. We investigated all the intramolecular interactions in the conformers of nucleosides, in particular hydrogen bonds. It is shown that the total energy of the non-canonical hydrogen bonds CH ... O in the Watson-Crick pairs of canonical nucleosides is commensurate with the energy of Watson-Crick pairing, indicating the important role of these interactions in maintaining the spatial structure of DNA, and probably in the process of protein-nucleic acid and nucleic acid-nucleic acid recognition. The suggested methodology of conformational analysis of nucleic acid constituents can be used as a first step in the molecular design of drugs based on modified nucleosides and nucleotides. Product Description popup.authors Юренко Євген Петрович popup.nrat_date 2020-04-02 Close