Biopolym. Cell. 2006; 22(5):339-349.
http://dx.doi.org/10.7124/bc.000741
Структура та функції біополімерів
Структурні характеристики інтеркаляційного комплексу шпилькової форми дезоксигептануклеотиду d(GCGAAGC) з антрацикліновим антибіотиком дауноміцином
1Костюков В. В., 1Пахомов В. І., 1Димант Л. Н.
  1. Севастопольський національний технічний университет
    вул. Університетська, 33, Севастополь, Україна, 99053

Abstract

Методами одно- та двовимірної 1Н ЯМР-спектроскопи і молекулярної механіки досліджено інтеркаляційний комплекс шпильки дезоксигептануклеотиду d(GCGAAGC) з антрациклі­новим антибіотиком дауноміцином у водно-сольовому розчині. Визначено рівноважні термодинамічні параметри комплексоутворення, розраховано просторову структуру комплексу, проведено порівняльний аналіз конформаційних та енергетич­них параметрів гептамеру без ліганду та в складі комплексу. Вивчено молекулярну динаміку комплексу у наносекундному часовому інтервалі, оцінено рухливість його структурних елементів. Проаналізовано взаємодію комплексу з найближчим водним оточенням.
Keywords: шпилька d(GCGAAGC), дауноміцин, інтеркаляція, ЯМР-спектроскопія, молекулярна динаміка
Повний текст: (PDF, російською) (PDF, англійською)

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