Hydrophobic contribution to the free energy of complexation of aromatic ligands with DNA
| العنوان: | Hydrophobic contribution to the free energy of complexation of aromatic ligands with DNA |
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| المؤلفون: | Viktor V. Kostjukov, N. M. Khomutova, Maxim P. Evstigneev, A. O. Lantushenko |
| المصدر: | Biopolymers and Cell, Vol 25, Iss 2, Pp 133-141 (2009) |
| بيانات النشر: | National Academy of Sciences of Ukraine, Institute of Molecular Biology and Genetics, 2009. |
| سنة النشر: | 2009 |
| مصطلحات موضوعية: | double-stranded DNA, aromatic ligand, biology, Stereochemistry, QH301-705.5, solvent-accessible surface area, QH426-470, biology.organism_classification, Heat capacity, General Biochemistry, Genetics and Molecular Biology, chemistry.chemical_compound, Crystallography, chemistry, Sasa, hydrophobic contribution, Genetics, Molecule, Biology (General), DNA |
| الوصف: | The hydrophobic component of complexation energy of double-stranded DNA with biologically active aromatic compounds was calculated using two semi-empirical methods – correlations of hydrophobic energy with changes of a heat capacity (DCp) and solvent-accessible surface area (SASA). These surface areas were calculated for free ligands and DNA oligomers, unwound DNA duplexes and DNA-ligand complexes. The changes of polar and non-polar SASAs of molecules upon binding ligands to DNA were found. The hydrophobic contribution at both complexation stages were calculated. It was shown that the calculation of hydrophobic energy by SASA method is more correct than (DCp) method for DNA-binding ligands. |
| اللغة: | English |
| تدمد: | 1993-6842 0233-7657 |
| الوصول الحر: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ef6a74f607777318bbad26091ad1450Test http://www.biopolymers.org.ua/archive/2009/02/ru/Kostukov.pdfTest |
| حقوق: | OPEN |
| رقم الانضمام: | edsair.doi.dedup.....2ef6a74f607777318bbad26091ad1450 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 19936842 02337657 |
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