Energy analysis of non-covalent ligand binding to nucleic acids: Present and future

Generalization of current views on energy analysis of complex formation of biologically active compounds with nucleic acids is represented and the outlook for further developments is determine

General features of the energetics of complex formation between ligand and nucleic acids

The analysis of the energy contributions of various physical factors to the complex formation between biologically active compounds and nucleic acids in aqueous solution was performed. A comparison of the energy parameters was made for ligand-ligand, intercalator-DNA, MGB-DNA and ligand-RNA groups. It was shown that the energetics of these reactions is of compensatory nature. Physical factors exerting the most pronounced influence on the energy parameters were identified. Correlation of the energy contributions to MGB-DNA complex formation and its biological effect was foun

Antitumor effects and hematotoxicity of С60-Cis-Pt nanocomplex in mice with lewis lung carcinoma

To estimate the antitumor effects of С60-Cis-Pt nanocomplex in Lewis lung carcinoma (LLC) and analyze hematological toxicity in tumor-bearing mic

The energetics of small molecules binding with nucleic acids

The present review deals with energy analysis of ligand binding with nucleic acids in terms of the energy contribution from various physical factors making up the net Gibbs energy change of the complexation reaction measured in experiment. The general patterns in distribution of energy over various energy terms were discussed in terms of correlation with the ligand structure, binding affinity and biological activity. It was concluded, that the energy analysis, as a part of thermodynamic method of investigation of ligand-nucleic acid interactions, may provide an extension to scientific background of the strategy of rational design of DNA/RNA targeting drug

Evidence of entropically driven C₆₀ fullerene aggregation in aqueous solution

In the present work, we report the first experimental evidence of entropically driven C₆₀ fullerene aggregation in aqueous solution, occurring with nearly zero enthalpy chang

Complexation of aromatic drugs with single-walled carbon nanotubes

We report a detailed study of the complexation of aromatic molecules and drugs with the surface of single-walled carbon nanotubes (SWCNTs, the diameter and the length ranges are 0.5-2 nm and 1-5 μm, respectively) in terms of equilibrium binding constants, K. It is found that the binding constants have magnitudes of the order of 104-105 M-1 and that there is some ligand specificity to the SWCNT surface depending on the structure of the aromatic molecul

Dimerization energetics of DNA minor groove binders

The energy analysis of a dimerization in aqueous solutions of seven biologically active lexitropsins, which are different by structure, was carried out with the use of the molecular simulation method. The main stabilization of dimers was shown to take place owing to hydrophobic and intermolecular van der Waals interactions. The latter are mainly associated with energyfavorable contacts between the aromatic rings of molecules and their peptide groups. Despite the significant dipole moments of the molecules concerned, the electrostatic interactions are relatively weak and destabilize the complexes because of the unfavorable relative arrangement of molecular dipoles. Entropic factors and the dehydration were shown to also hinder the dimerizatio

Spectroscopic study of proflavine adsorption on the carbon nanotube surface

The present paper sheds light on one of the possible mechanisms of interaction between the typical aromatic dye proflavine and the carbon nanotube surface, namely, π-stacking between aromatic rings of these compounds. To investigate such a complexation, a qualitative analysis was performed by means of ultraviolet visible, infrared, and nuclear magnetic resonance spectroscopy. The data obtained suggest that π-stacking brings the major contribution to the stabilization of the complex between proflavine and the carbon nanotub