Molecular dynamics and free energy of binding of oleic acid to DNA in aqueous solutions

In this study, the complexes of a DNA oligonucleotide consisting of 25 AT base pairs (dA)25 (dT)25 and linoleic acid (trans 9,12 octadecadienoic acid) in neutral and ionized forms were studied by the molecular dynamics method with the use of an explicit solvent model. It is shown that these complexe...

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Veröffentlicht in:	Doklady. Biochemistry and biophysics 2012-09, Vol.446 (1), p.223-228
Hauptverfasser:	Tarasov, D. S., Ibragimova, M. Y., Izotova, E. D., Akberova, N. I., Zhdanov, R. I.
Format:	Artikel
Sprache:	eng
Schlagworte:	Acids Aqueous solutions Binding Sites Biochemistry Biological and Medical Physics Biomedical and Life Sciences Biophysics Biophysics and Molecular Biology Computer Simulation Deoxyribonucleic acid DNA DNA - chemistry DNA - ultrastructure Energy Energy Transfer Life Sciences Models, Chemical Molecular biology Molecular Dynamics Simulation Oleic Acid - chemistry Solutions Thermodynamics Water - chemistry
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Beschreibung
Zusammenfassung:	In this study, the complexes of a DNA oligonucleotide consisting of 25 AT base pairs (dA)25 (dT)25 and linoleic acid (trans 9,12 octadecadienoic acid) in neutral and ionized forms were studied by the molecular dynamics method with the use of an explicit solvent model. It is shown that these complexes have a high conformational mobility.
ISSN:	1607-6729 1608-3091
DOI:	10.1134/S1607672912050043