… Virtual screening performed on the NCI database obtained new inhibitors which have the
potential to inhibit AChE and to protect neurons from Aβ toxicity. The hit compounds were …

Acetylcholinesterase (AChE) is one of the classical targets in the treatment of Alzheimer’s
disease (AD). Inhibition of AChE slows down the hydrolysis of acetycholine and increases …

… approaches for a universal virtual screening solution. Though … structure based approaches
for virtual screening of AChE. … The following virtual screening tools were used for this study: …

… This work aims at identifying new potent AChE inhibitors by combining structure-based virtual
screening (SBVS) and in vitro assays. Docking studies followed by a computational ADME …

… Discovery of a novel acetylcholinesterase inhibitor by structure-based virtual screening …
Discovery of new acetylcholinesterase inhibitors with small core structures through shape-…

Acetylcholinesterase (AChE) is a main drug target, and its inhibitors have demonstrated
functionality in the symptomatic treatment of Alzheimer’s disease (AD). In this study, a series of …

… of structure-based virtual screening of a commercial … inhibitors with clear enrichment. We
subsequently report the in vitro screening of sections of the library to identify novel inhibitors of …

… inhibitors discovered in this study would not have been hit, if we had used a virtual screening
… had been hit by rigid-docking-based screening, the docking modes with the input ligand …

… , virtual screening techniques such as ligand-based virtual screening (LBVS) and structure-based
virtual screening … well suited for drug discovery using virtual screening due to their well-…

… In this study, we used a structure-based virtual screening (VS) approach to discover new
BChE inhibitors. A ligand database was filtered and docked to the BChE protein using Glide …