Enviar artigo por via de e-mail Pharmacophore analysis of positive allosteric modulators of AMPA receptors
- Autores: Karlov D.S.1, Lavrov M.I.1,2, Palyulin V.A.1,2, Zefirov N.S.1,2
-
Afiliações:
- Department of Chemistry, M. V. Lomonosov Moscow State University
- Institute of Physiologically Active Compounds, Russian Academy of Sciences
- Edição: Volume 65, Nº 2 (2016)
- Páginas: 581-587
- Seção: Full Articles
- URL: https://bakhtiniada.ru/1066-5285/article/view/237374
- DOI: https://doi.org/10.1007/s11172-016-1341-z
- ID: 237374
Citar
Acesso aberto
Acesso está concedido
Somente assinantes
Resumo
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.
Sobre autores
D. Karlov
Department of Chemistry, M. V. Lomonosov Moscow State University
Email: vap@qsar.chem.msu.ru
Rússia, 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
Rússia, 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
Autor responsável pela correspondência
Email: vap@qsar.chem.msu.ru
Rússia, 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
Rússia, Build. 3, 1 Leninskie Gory, Moscow, 119991; 1 Severny proezd, Chernogolovka, Moscow Region, 142432
Arquivos suplementares
