电邮这篇文章 Pharmacophore analysis of positive allosteric modulators of AMPA receptors
- 作者: Karlov D.S.1, Lavrov M.I.1,2, Palyulin V.A.1,2, Zefirov N.S.1,2
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隶属关系:
- Department of Chemistry, M. V. Lomonosov Moscow State University
- Institute of Physiologically Active Compounds, Russian Academy of Sciences
- 期: 卷 65, 编号 2 (2016)
- 页面: 581-587
- 栏目: 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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详细
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.
作者简介
D. Karlov
Department of Chemistry, M. V. Lomonosov Moscow State University
Email: vap@qsar.chem.msu.ru
俄罗斯联邦, 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
俄罗斯联邦, 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
编辑信件的主要联系方式.
Email: vap@qsar.chem.msu.ru
俄罗斯联邦, 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
俄罗斯联邦, Build. 3, 1 Leninskie Gory, Moscow, 119991; 1 Severny proezd, Chernogolovka, Moscow Region, 142432
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