Компьютерное моделирование структур активных центров моноаминоксидаз А и Б и поиск новых ингибиторов моноаминоксидазы А
Диссертация
Построены 3D-QSAR и CoMFA модели активных центров МАО, А и Б с использованием аналогов пиразидола, индола и изатина, КЭА, АА, КЭДА. Выявлены стерические и электростатические области, важные для проявления ингибиторной активности различных соединений. Отмечено, что для адекватного описания ингибиторных свойств соединений для МАО Б необходимо использовать данные об их гидрофобности.2. Разработан… Читать ещё >
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