Ukr.Biochem.J. 2015; Том 87, № 1, січень-лютий, c. 109-120

doi: http://dx.doi.org/10.15407/ubj87.01.109

Застосування методів молекулярного моделювання для пошуку нових біологічно активних речовин

В. В. Гурмач1, О. М. Балинський1, М. О. Платонов2, О. М. Бойко1, Ю. І. Прилуцький1

1Київський національний університет імені Тараса Шевченка, Україна;
e-mail: gyrmach@gmail.com;
2Інститут молекулярної біології та генетики НАН України, Київ

Пошук нових сполук зі специфічною біологічною дією потребує використання новітніх методів молекулярного моделювання. З метою пошуку потенційно активних речовин для всього класу SH2 доменів проведено порівняння відомих структур, їх кластерний аналіз, молекулярний докінг, виділено усі можливі фармакофорні моделі та застосовано GTM передбачення. Одержані дані свідчать про значну варіативність зв’язування SH2 доменів.

Ключові слова: , , , ,


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