Article
Molecular interactions of type I and type II positive allosteric modulators with the human α7 nicotinic acetylcholine receptor: an in silico study.
Journal of biomolecular structure & dynamics - 1 Feb 2019
Targowska-Duda Katarzyna M, Kaczor Agnieszka A, Jozwiak Krzysztof, Arias Hugo R
Abstract excerpt
The binding site locations and structural components for type I and type II positive allosteric modulators (PAMs) of the α7 nicotinic acetylcholine receptor (nAChR) have not been fully characterized yet. In this regard, homology models of the human α7 nAChR and hα7/m5-HT3A chimera, built using the crystal structure of the serotonin type 3A receptor (5-ΗΤ3ΑR), were used for molecular docking and molecular dynamics...
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