Kostjukov V. Stability of short hairpin structures of nucleic acids and their complexes with aromatic compounds

Object of investigation: formation of short DNA hairpin structures and features of their complexation with aromatic BAC in aqueous-salt solution. The aim of this work is determination of possibility and conditions of formation of hairpin forms of short deoxyribooligonucleotides (DNA hexa- and heptamers) and features of their complexation with aromatic biologically active compounds. Methods of investigation: one- and two-dimensional (2D-TOCSY, 2D-NOESY) homonuclear 1H-NMR spectroscopy (500 MHz) - for analysis of equilibrium forms of DNA oligomers in solution and their complexes with aromatic BAC; molecular dynamics simulations - to get structural and energetic parameters of DNA oligomers and their complexes with BAC in a aqueous environment. In the dissertation work for the first time by the methods of one- and two-dimensional 1H-NMR spectroscopy and molecular dynamics simulations the short DNA hairpin structures at the level of hexa- and heptamers and their complexation with aromatic ligands were investigated. The fact and conditions of formation of short DNA hairpins in solution found in this work extends an understanding of conformational properties of nucleic acids. Field of application - molecular biophysics, molecular biology and biotechnology.