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Information × Registration Number 0212U007739, 0109U009070 , R & D reports Title Thermodynamics of ligands complexation, which binds to the surface of DNA molecule popup.stage_title Head Evstigneev Maxim Pavlovich, Registration Date 03-12-2012 Organization Sevastopol National Technical University popup.description2 The method of analysis of contribution of various physical factors into the net Gibbs free energy change on complexation in ligand-DNA systems for non-rigid low-molecular weight compounds, exerting their medico-biological action via formation of externally bound complexes with DNA, is proposed. The trust criterion for this method is a coinsidence of the sum of the calculated terms of the net Gibbs free energy with experimentally measured values for the ligands differed by their structures and physico-chemical properties. The objective of the work is an answer on the question "What physical factors and to what extent are responsible for stabilization/destabilization of the ligand-DNA complexes". The possibility of quantitative estimation of the contribution of various factors into the stabilization of the complexes provides a scientific basis to modern strategy of rational drug design with given thermodynamic profile on binding with bioreceptor, and, as a consequence, an optimization of medico-biological effect, as well as deepening our knowledge on the mechanisms of binding of biologically important molecules with nucleic acids in cells. Methods of investigation: NMR, microcalorimetry, molecular modeling, statistical thermodynamics. Product Description popup.authors Барановський С.Ф. Костюков В.В. popup.nrat_date 2020-04-02 Close