Pharmacological Characteristics and Binding Modes of Caracurine V Analogues and Related Compounds at the Neuronal α7 Nicotinic Acetylcholine Receptor

2007 ◽  
Vol 50 (19) ◽  
pp. 4616-4629 ◽  
Author(s):  
Anders A. Jensen ◽  
Darius P. Zlotos ◽  
Tommy Liljefors
Keyword(s):  
Acetylcholine Receptor ◽  
Nicotinic Acetylcholine Receptor ◽  
Binding Modes ◽  
Α7 Nicotinic Acetylcholine Receptor ◽  
Nicotinic Acetylcholine ◽  
Related Compounds

Theoretical study of the binding profile of an allosteric modulator NS-1738 with a chimera structure of the α7 nicotinic acetylcholine receptor

2016 ◽  
Vol 18 (40) ◽  
pp. 28003-28009 ◽  
Author(s):  
Guanglin Kuang ◽  
Xu Wang ◽  
Christer Halldin ◽  
Agneta Nordberg ◽  
Bengt Långström ◽  
...  
Keyword(s):  
Acetylcholine Receptor ◽  
Nicotinic Acetylcholine Receptor ◽  
Theoretical Study ◽  
Allosteric Modulator ◽  
Simulation Methods ◽  
Binding Modes ◽  
Free Energies ◽  
Α7 Nicotinic Acetylcholine Receptor ◽  
Nicotinic Acetylcholine ◽  
Binding Free Energies

The binding modes and binding free energies of the allosteric modulator NS-1738 with a chimera structure of the α7 nicotinic acetylcholine receptor have been studied by molecular simulation methods.

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