Exploring the binding mechanism of positive allosteric modulators in human metabotropic glutamate receptor 2 using molecular dynamics simulations

2021 ◽  
Author(s):  
Panpan Wang ◽  
Xiaonan Gao ◽  
Ke Zhang ◽  
Qinglan Pei ◽  
Xiaobo Xu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Glutamate Receptor ◽  
Metabotropic Glutamate Receptor ◽  
Binding Mode ◽  
Allosteric Modulators ◽  
Binding Mechanism ◽  
Metabotropic Glutamate ◽  
High Affinity ◽  
Dynamics Simulations ◽  
High Electronegativity

Based on the binding mode and electrostatics, the features of high affinity PAMs were the reduced hydrophobicity with low electronegativity of R1, increased hydrophobicity with low electronegativity of R2 and with high electronegativity of linker.

scholarly journals Mechanisms of Skin Toxicity Associated with Metabotropic Glutamate Receptor 5 Negative Allosteric Modulators

2017 ◽  
Vol 24 (7) ◽  
pp. 858-869.e5 ◽  
Author(s):  
Falgun Shah ◽  
Antonia F. Stepan ◽  
Alison O'Mahony ◽  
Sharlene Velichko ◽  
Alexandra E. Folias ◽  
...  
Keyword(s):  
Glutamate Receptor ◽  
Metabotropic Glutamate Receptor ◽  
Skin Toxicity ◽  
Allosteric Modulators ◽  
Metabotropic Glutamate Receptor 5 ◽  
Metabotropic Glutamate

scholarly journals Construction of a High Affinity Zinc Binding Site in the Metabotropic Glutamate Receptor mGluR1

2000 ◽  
Vol 276 (13) ◽  
pp. 10110-10118 ◽  
Author(s):  
Anders A. Jensen ◽  
Paul O. Sheppard ◽  
Liselotte B. Jensen ◽  
Patrick J. O'Hara ◽  
Hans Bräuner-Osborne
Keyword(s):  
Binding Site ◽  
Glutamate Receptor ◽  
Metabotropic Glutamate Receptor ◽  
Zinc Binding ◽  
Metabotropic Glutamate ◽  
High Affinity ◽  
Zinc Binding Site
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