Yevstygnyeyev M. Physical mechanisms of association of biologically active aromatic molecules and their competitive binding with DNA.

In order to elucidate the molecular basis of a competitive binding with DNA of biologically active aromatic ligands an approaches for analysis of a multicomponent equilibrium in solution, including self- and hetero-association of aromatic molecules and their complexation with DNA, have been suggested. Statistical-thermodynamical models of hetero-association of aromatic molecules and their complexation with DNA have been developed for interpretation of NMR data. Homonuclear one-dimensional and two-dimensional 1H-NMR spectroscopy (500 MHz) has been used to investigate the self-association of antibiotic novatrone and hetero-association of acridine dyes (proflavine and acridine orange) and phenanthridine dyes (ethidium bromide and propidium iodide), with anthracycline antibiotic daunomycin in aqueous solution. Equilibrium constants and thermodynamical parameters of the association reactions have been determined and the most favourable structures of 1:1 complexes have been calculated. A general features forthe association processes of aromatic molecules in solution have been formulated. The obtained results may be used in the field of biophysics, molecular and medical physics.