Energetics of complex formation of the dna hairpin structure d(GCGAAGC) with aromatic ligands |
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Authors: | V V Kostyukov |
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Institution: | 1.Sevastopol National Technical University,Sevastopol,Ukraine |
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Abstract: | The energy contributions of various physical interactions to the total Gibbs energy of complex formation of the biologically
important DNA hairpin d(GCGAAGC) with aromatic antitumor antibiotics daunomycin and novantrone and mutagens ethidium bromide
and proflavin have been calculated. It has been shown that the relatively small value of the total energy of binding of the
ligands to the hairpin is the sum of components great in absolute value and different in sign. The contributions of van der
Waals interactions and both intra- and intermolecular hydrogen bonds and bonds with aqueous environment have been studied.
According to the calculations, the hydrophobic and van der Waals components are energetically favorable in complex formation
of the ligands with the hairpin d(GCGAAGC), whereas the electrostatic (with consideration of hydrogen bonds) and entropic
components are unfavorable. |
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