Работа посвящена исследованию агрегации алкалоида растительного происхождения берберина с кофеином и фуллереном С60 в водных растворах. Методом спектрофотометрического титрования была исследована агрегация данных молекул. С помощью статистико-термодинамических моделей получены оценки равновесных констант агрегации, при этом константа гетероассоциации берберина и кофеина оценена впервые. Методом молекулярного докинга получено подтверждение этих количественных оценок. Полученные результаты находятся в полном согласии с выводами проведенных ранее подобных исследований. Сформулированы направления дальнейшей работы по изучению агрегации берберина с биологически важными молекулами.
берберин, кофеин, фуллерен C60, агрегация, равновесная константа, спектрофотометрия
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