Email this article Pharmacophore analysis of positive allosteric modulators of AMPA receptors
- Authors: Karlov D.S.1, Lavrov M.I.1,2, Palyulin V.A.1,2, Zefirov N.S.1,2
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Affiliations:
- Department of Chemistry, M. V. Lomonosov Moscow State University
- Institute of Physiologically Active Compounds, Russian Academy of Sciences
- Issue: Vol 65, No 2 (2016)
- Pages: 581-587
- Section: Full Articles
- URL: https://journals.rcsi.science/1066-5285/article/view/237374
- DOI: https://doi.org/10.1007/s11172-016-1341-z
- ID: 237374
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Abstract
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.
About the authors
D. S. Karlov
Department of Chemistry, M. V. Lomonosov Moscow State University
Email: vap@qsar.chem.msu.ru
Russian Federation, Build. 3, 1 Leninskie Gory, Moscow, 119991
M. I. 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
Russian Federation, Build. 3, 1 Leninskie Gory, Moscow, 119991; 1 Severny proezd, Chernogolovka, Moscow Region, 142432
V. A. Palyulin
Department of Chemistry, M. V. Lomonosov Moscow State University; Institute of Physiologically Active Compounds, Russian Academy of Sciences
Author for correspondence.
Email: vap@qsar.chem.msu.ru
Russian Federation, Build. 3, 1 Leninskie Gory, Moscow, 119991; 1 Severny proezd, Chernogolovka, Moscow Region, 142432
N. S. 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
Russian Federation, Build. 3, 1 Leninskie Gory, Moscow, 119991; 1 Severny proezd, Chernogolovka, Moscow Region, 142432
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