Evstigneev V. Multicomponent interactions of biologically active aromatic compounds and DNA in aqueous solution

The aim of this work: extension of knowledge about two-component interactions of aromatic BACs and development of a new theoretical basis for analysis of multicomponent intermolecular interactions of BACs and DNA in the context of physical mechanisms of regulation of biological action. Methods of research are 1D and 2D NMR-spectroscopy and molecular modelling. Two-component interactions of biologically active aromatic monointercalators and bis-intercalators leading to formation of complexes with non-standard stoichiometry have been investigated by 1H NMR spectroscopy. A model of two-site heteroassociation of aromatic drugs was developed. New approach for analysis of multicomponent solutions of aromatic compounds taking into consideration all physically possible intermolecular interactions has been developed. On the basis of this approach a potential possibility of regulation of biological activity in triple mixtures of aromatic drugs Vitamin-Caffeine-Nicotinamide and Antibiotic-Vitamin-Caffeine was demonstrated. A theoretical analysis of interceptor/protector action of aromatic biologically active compounds on DNA in three-component mixtures has been accomplished. A number of recommendations were suggested for practical utilization of the resultant formulas. In order to make the results of theoretical analysis applicable to biological in vitro data a relevant scheme for an estimation of relative biological effect in a mixture of aromatic drugs was suggested.