Мақаланы E-mail арқылы жіберу Pharmacophore analysis of positive allosteric modulators of AMPA receptors
- Авторлар: Karlov D.S.1, Lavrov M.I.1,2, Palyulin V.A.1,2, Zefirov N.S.1,2
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Мекемелер:
- Department of Chemistry, M. V. Lomonosov Moscow State University
- Institute of Physiologically Active Compounds, Russian Academy of Sciences
- Шығарылым: Том 65, № 2 (2016)
- Беттер: 581-587
- Бөлім: Full Articles
- URL: https://bakhtiniada.ru/1066-5285/article/view/237374
- DOI: https://doi.org/10.1007/s11172-016-1341-z
- ID: 237374
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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.
Авторлар туралы
D. Karlov
Department of Chemistry, M. V. Lomonosov Moscow State University
Email: vap@qsar.chem.msu.ru
Ресей, 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
Ресей, 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
Хат алмасуға жауапты Автор.
Email: vap@qsar.chem.msu.ru
Ресей, 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
Ресей, Build. 3, 1 Leninskie Gory, Moscow, 119991; 1 Severny proezd, Chernogolovka, Moscow Region, 142432
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