Biopolym. Cell. 2005; 21(3):287-292.
http://dx.doi.org/10.7124/bc.0006F4
Біоорганічна хімія
Пошук інгібіторів протеїнкінази СК2 серед похідних 4Н-4- хроменонів
1Приходько А. О., 1Яковенко О. Я., 1Голуб А. Г., 1Бджола В. Г., 1Ярмолюк С. М.
  1. Інститут молекулярної біології і генетики НАН України
    Вул. Академіка Заболотного, 150, Київ, Україна, 03680

Abstract

Протеїнкіназа СК2 є убіквітальною багатосубстратною кіна­зою, що залучена до багатьох сигнальних шляхах клітинного росту та проліферації. СК2 кіназа розглядається як перспек­тивна мішень для створення протиракових ліків. Для пошуку інгібіторів протеїнкінази СК2 нами проведено комп'ютерний рецептор-орієнтований віртуальний скринінг 2000 сполук ком­бінаторної бібліотеки 4Н-4-хроменону. На основі розрахованих програмою DOCK 4.0 оціночних показників вільної енергії взаємодії відібрано 90 сполук для біологічного тестування. Знайдено, що дві сполуки пригнічують активність СК2 кінази з ІС50 - 18,8 мкМ та IC50 - 22,4 мкМ
Keywords: рецептор-орієнтований пошук, інгібітори СК2 кінази, 4Н-4-хроменон, хромон
Повний текст: (PDF, англійською)

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