Biopolym. Cell. 2013; 29(4):339-347.
Огляди
Раціональний дизайн інгібіторів протеїнкіназ
1Ярмолюк С. М., 1Нипорко О. Ю., 1Бджола В. Г.
  1. Інститут молекулярної біології і генетики НАН України
    Вул. Академіка Заболотного, 150, Київ, Україна, 03680

Abstract

Сучасні методологічні підходи до раціонального дизайну низькомолекулярних сполук, що характеризуються специфічною активністю щодо заданих біомолекулярних мішеней, розглянуто на прикладі розробки високоефективних інгібіторів протеїнкіназ. Висвітлено нові обчислювальні методи, застосування яких дає змогу суттєво покращити якість комп’ютерних експериментів (зокрема, точність передбачення активності низькомолекулярних сполук) без збільшення розрахункових потужностей та витрати часу. Ефективність стратегії раціонального дизайну підтверджено низкою власних досліджень з розробки нових інгібіторів протеїнкіназ СК2, FGFR1 і ASK1.
Keywords: раціональний дизайн, інгібітори протеїнкіназ, низькомолекулярні сполуки, протеїнкінази СК2, FGFR1, ASK1

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