Contribution of enthalpy to the energetics of complex formation of aromatic ligands with DNA |
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Authors: | V V Kostyukov N M Khomutova M P Evstigneev |
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Institution: | 1.Sevastopol National Technical University,Sevastopol,Ukraine |
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Abstract: | The energy contributions of electrostatic, van der Waals interactions, hydrogen bonds, and interactions of charge transfer
type to the enthalpy of complex formation of the double-stand DNA with the antitumor antibiotics daunomycin, nogalamycin,
and novantron, as well as the mutagens ethidium bromide and proflavine have been calculated. According to the calculations,
the van der Waals component (except for nogalamycin) is energetically favorable during complex formation of the antibiotics
with DNA, and the contributions of H bonds and electrostatic interactions are unfavorable, with the probability of charge
transfer in the complexes being low. It has been shown that the relatively low value of the experimental enthalpy of binding
is the sum of components greater in absolute value and different in the sign, which is the cause of large errors in estimating
the total enthalpy of complex formation of aromatic ligands with DNA. |
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