EN 
中文 
ES | Форма представления | Статьи в зарубежных журналах и сборниках |
| Год публикации | 2023 |
| Язык | английский |
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| Библиографическое описание на языке оригинала | Ibragimova M.Y., Zaitsev S.Yu., Aupov R. Kh.., Andrianov G.V., Zhdanov R.I. Molecular Dynamics of Oligonucleotide DNA Complexes with Phosphatidylserine // Biointerface Research in Applied Chemistry. - 2023, V. 13, Issue 3. - P. 287-297. https://doi.org/10.33263/BRIAC133.287 |
| Аннотация | A formation of DNA-lipid complexes was studied by molecular docking and molecular dynamics methods using the interaction of DNA with phosphatidylserine (PS). We have previously shown that some fatty acids and phosphatidylglycerol can specifically bind to oligonucleotide DNA (dA)20?(dT)20. It is shown that (dA)20?(dT)20 and phosphatidylserine formed a stable complex with a 6.3 kcal/mol binding energy and the PS molecule located in the minor groove of DNA. This complex contains 342 groups of atoms, the distance between which is less than 3.4 Å. The types of bonds in the PS-DNA(oligonucleotide) complex are suggested as hydrogen bonds, van der Waals, and hydrophobic interactions. In our previous study, a similar arrangement with close binding energy of 5.8 kcal/mol was shown for phosphatidylglycerol complex with the same oligonucleotide (complex contained 354 groups of atoms). The present study is of interest due to the importance of such complexes for applied biochemistry and biotechnology, genetics and molecular biology, cytology and pharmacology, nanotechnology, and self-assembly smart materials. |
| Ключевые слова | interfacial interactions; interatomic distances; phosphatidylserine; oligonucleotides; DNA-lipid complexes; docking; molecular dynamics |
| Название журнала | Biointerface Research in Applied Chemistry |
| URL | https://doi.org/10.33263/BRIAC133.287 |
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