Водневий зв'язок і ДНК: 66-річна ретроспектива (в короткому викладі)
Анотація
Актуальність. Як одного разу сказав Ю.П. Благой, пам'яті якого присвячується ця робота: «Молекулярна структура ДНК — знаменита подвійна спіраль — стабілізується молекулами води та іонами металів». Центральною, ключовою взаємодією, визначальною як для двухспіральної будови ДНК, так і її функціонування (генетичний код, реплікація, мутагенез), є воднево-зв'язана взаємодія.
Мета роботи. Демонстрація різноманітних проявів водневого зв'язку в структурі та функціонуванні ДНК.
Матеріали та методи. В роботі використане комп'ютерне моделювання, засноване на методі функціонала густини.
Результати. У роботі наведно широкий спектр воднево-зв'язаних взаємодій, що визначають ключові сторони як структури ДНК, так і ії функціональні особливості, які стосуються спадковості (реплікація, мутагенез).
Висновки. З одного боку, в напіввідкритих парах з вбудованою молекулою води на зовнішньому водневому зв'язку створюються більш сприятливі умови для переходів протонів по центральному водневому зв'язку між парами. В цьому випадку водневі зв'язки в меншій мірі перешкоджають переходу протона через менше електростатичне відштовхування (через більшу відстань) між ними. Тому напіввідкриті пари з більшою ймовірністю можуть служити джерелом утворення таутомерних форм нуклеїнових основ і обумовлювати ймовірний механізм утворення точкових мутацій в ДНК. При цьому, центральні водневі зв'язки за участю іміногрупи основ в парах залишаються неушкодженими.
Завантаження
Посилання
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