Simulation of interactions between DNA and diglycerides |
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| Authors: | N I Boiko R I Zhdanov E P Dyachkov P N Dyachkov |
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| Institution: | (1) N. N. Blokhin Cancer Research Center, Russian Academy of Medical Sciences, 24 Kashirskoe sh., 115478 Moscow, Russian Federation;(2) Yeditepe University, 26 Agustos Yerlesimi st., 34755 Istanbul, Turkey;(3) N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 31 Leninsky prosp., 119991 Moscow, Russian Federation |
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| Abstract: | Calculations by molecular mechanics methods showed that diglycerides containing stearic, oleic, linoleic, or linolenic acids
can bind to DNA. The binding energy of diglycerides to the DNA minor groove is higher than that to the major groove. The bond
energies of diglycerides to DNA were calculated as the sums of the contributions of the binding energies between DNA and two
fatty acid residues. These energies depend on the structure of the fatty acid and the nucleotide composition of DNA and vary
from 20 to 120 kcal mol−1.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1741–1744, August, 2008. |
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| Keywords: | DNA diglycerides computer simulation of binding |
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