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Structural requirements for molecular design of positive allosteric modulators of AMPA receptor

Eugene V Radchenko 1, 2
Eugene V Radchenko
, 
Dmitry Sergeevich Karlov 1, 2
Dmitry Sergeevich Karlov
, 
Mstislav Igorevich Lavrov 1, 2
Mstislav Igorevich Lavrov
, 
Vladimir Alexandrovich Palyulin 1, 2
Vladimir Alexandrovich Palyulin
10.1016/j.mencom.2017.11.029
Published 2017-10-30
Communication , Volume 27, Issue 6, 623-625
17
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Radchenko E. V. et al. Structural requirements for molecular design of positive allosteric modulators of AMPA receptor // Mendeleev Communications. 2017. Vol. 27. No. 6. pp. 623-625.
GOST all authors (up to 50) Copy
Radchenko E. V., Karlov D. S., Lavrov M. I., Palyulin V. A. Structural requirements for molecular design of positive allosteric modulators of AMPA receptor // Mendeleev Communications. 2017. Vol. 27. No. 6. pp. 623-625.
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TY - JOUR
DO - 10.1016/j.mencom.2017.11.029
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2017.11.029
TI - Structural requirements for molecular design of positive allosteric modulators of AMPA receptor
T2 - Mendeleev Communications
AU - Radchenko, Eugene V
AU - Karlov, Dmitry Sergeevich
AU - Lavrov, Mstislav Igorevich
AU - Palyulin, Vladimir Alexandrovich
PY - 2017
DA - 2017/10/30
PB - Mendeleev Communications
SP - 623-625
IS - 6
VL - 27
ER -
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@article{2017_Radchenko,
author = {Eugene V Radchenko and Dmitry Sergeevich Karlov and Mstislav Igorevich Lavrov and Vladimir Alexandrovich Palyulin},
title = {Structural requirements for molecular design of positive allosteric modulators of AMPA receptor},
journal = {Mendeleev Communications},
year = {2017},
volume = {27},
publisher = {Mendeleev Communications},
month = {Oct},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2017.11.029},
number = {6},
pages = {623--625},
doi = {10.1016/j.mencom.2017.11.029}
}
MLA
Cite this
MLA Copy
Radchenko, Eugene V., et al. “Structural requirements for molecular design of positive allosteric modulators of AMPA receptor.” Mendeleev Communications, vol. 27, no. 6, Oct. 2017, pp. 623-625. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2017.11.029.

Abstract

Positive allosteric modulators of AMPA receptor are prospective for the development of safe and efficacious agents for the correction of disruption of the central nervous system functions. Joint application of molecular docking, MFTA and CoMFA QSAR modelling, and pharmacophore analysis affords a consistent picture of structural requirements for molecular design of novel promising bivalent modulators with high activity, including overall twisted-staple shape of a molecule, hydrophobic central core, and polar hydrogen bond acceptor groups in peripheral parts of a molecule.

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