Отправить статью по E-mail Pharmacophore analysis of positive allosteric modulators of AMPA receptors
- Авторы: Karlov D.S.1, Lavrov M.I.1,2, Palyulin V.A.1,2, Zefirov N.S.1,2
-
Учреждения:
- Department of Chemistry, M. V. Lomonosov Moscow State University
- Institute of Physiologically Active Compounds, Russian Academy of Sciences
- Выпуск: Том 65, № 2 (2016)
- Страницы: 581-587
- Раздел: Full Articles
- URL: https://bakhtiniada.ru/1066-5285/article/view/237374
- DOI: https://doi.org/10.1007/s11172-016-1341-z
- ID: 237374
Цитировать
Открытый доступ
Доступ предоставлен
Только для подписчиков
Аннотация
A 3D QSAR study of a set of positive allosteric modulators of AMPA receptors was performed using the CoMFA approach. It was shown that the van der Waals component introduces the major contribution to the predicted pEC50 values, while the contribution of the electrostatic component is minor. The pharmacophore hypothesis for positive allosteric modulators was generated and validated.
Об авторах
D. Karlov
Department of Chemistry, M. V. Lomonosov Moscow State University
Email: vap@qsar.chem.msu.ru
Россия, Build. 3, 1 Leninskie Gory, Moscow, 119991
M. Lavrov
Department of Chemistry, M. V. Lomonosov Moscow State University; Institute of Physiologically Active Compounds, Russian Academy of Sciences
Email: vap@qsar.chem.msu.ru
Россия, Build. 3, 1 Leninskie Gory, Moscow, 119991; 1 Severny proezd, Chernogolovka, Moscow Region, 142432
V. Palyulin
Department of Chemistry, M. V. Lomonosov Moscow State University; Institute of Physiologically Active Compounds, Russian Academy of Sciences
Автор, ответственный за переписку.
Email: vap@qsar.chem.msu.ru
Россия, Build. 3, 1 Leninskie Gory, Moscow, 119991; 1 Severny proezd, Chernogolovka, Moscow Region, 142432
N. Zefirov
Department of Chemistry, M. V. Lomonosov Moscow State University; Institute of Physiologically Active Compounds, Russian Academy of Sciences
Email: vap@qsar.chem.msu.ru
Россия, Build. 3, 1 Leninskie Gory, Moscow, 119991; 1 Severny proezd, Chernogolovka, Moscow Region, 142432
Дополнительные файлы
