Design, Bio-evaluation and Molecular Dynamics Simulation of Novel GSK-3β Inhibitors.Glycogen synthase kinase 3 beta (GSK-3β) is considered as a promising drug target for the treatment of Alzheimer's disease (AD). 
Glycogen synthase kinase 3 beta
Design, Bio-evaluation and Molecular Dynamics Simulation of Novel GSK-3β Inhibitors.Glycogen synthase kinase 3 beta (GSK-3β) is considered as a promising drug target for the treatment of Alzheimer's disease (AD).  In the present study, two compound libraries were selected for virtual screening based on pharmacophore models of GSK-3β to discover new inhibitors.  Nine potential hits were retained for biological investigation and four of these compounds showed GSK-3β inhibitory activity (with the IC50 values in sub-micromolar range on GSK-3β).  Based on the inhibitory activity and druggability properties, compound 8 is the preferred molecule, and it is a promising lead for the development of the GSK-3β inhibitors for reducing the abnormal hyperphosphorylation of tau protein and relieving AD.
GSK-3β
Design, Bio-evaluation and Molecular Dynamics Simulation of Novel GSK-3β Inhibitors.Glycogen synthase kinase 3 beta (GSK-3β) is considered as a promising drug target for the treatment of Alzheimer's disease (AD). 
Alzheimer's disease
They do not have any significant in vitro cytotoxicity against PC12 and SH-SY5Y neuroblastoma cells at concentrations up to 90 μM. 
PC12
They do not have any significant in vitro cytotoxicity against PC12 and SH-SY5Y neuroblastoma cells at concentrations up to 90 μM. 
SH-SY5Y