[Binding of positive charged ligands to DNA. The effect of ionic strength, charge and size of the ligand].
The electrostatic interaction of extended cationic ligands with DNA has been considered on the basis of the analytical solution of a simplified Poisson--Boltzmann equation for the charged polyion cylinder. The control numerical solution of rigorous Poisson--Boltzmann equation shows that the assumption about the absence of coions in the vicinity of the highly charged polyion cylinder does not significantly influence the accuracy of solution and DNA electrostatic free energy evaluation. It was found that the basic contribution to the free energy of electrostatic ligand-DNA interaction is the mixing entropy change due to release of counterions from the vicinity of DNA. The equation for the dependence of the ligand to DNA binding constant K upon ionic strength c has been derived without introduction of any empirical parameters. This equation is consistent with the experimental data and can be used for the determination of a number of ligand--DNA ionic contacts in a wide range of salt concentrations. The main consequences of Manning and Record et al. theories can be considered as limiting cases of the theory presented. In particular the equation d(lnK)/d(lnc) = -0.88 N by Record et al. has a restricted range of application and it can be used only for a relative approximate estimation of the number of electrostatic bonds in ligand-DNA complexes. The analysis of electrostatic interaction of DNA with ligands which neutralize only part of phosphate groups in the binding site of DNA was also performed.(ABSTRACT TRUNCATED AT 250 WORDS)
Sivolob
A V
AV
Khrapunov
S N
SN
D001665:Binding Sites; D002412:Cations; D004247:DNA / Q000378:metabolism*; D004553:Electric Conductivity; D008024:Ligands / Q000378:metabolism*; D008433:Mathematics; D008954:Models, Biological; D009994:Osmolar Concentration
D002412:Cations; D008024:Ligands; D004247:DNA
Sviazyvanie polozhitel'no zariazhennykh ligandov s DNK. Vliianie ionnoĭ sily, zariada i razmera liganda.