… as potential inhibitors of AChE were made possible by the our pharmacophore study that
showed the best model of AChE inhibitors … The most active molecule in the training set fits the …

… This paper deals with molecular modeling of new therapeutic … function through the inhibition
of the acetylcholinesterase, a set … The protein–ligand docking showed stable binding modes …

… , molecular docking studies provided prospective evidence to identify key interactions between
the active inhibitors … of indolopyrazoline derivatives as potential anti-Alzheimer agents. …

… out to explore natural compounds as potential AChE inhibitors. Virtual screening, via drug-…
and molecular docking analyses, has been utilized to identify putative novel AChE inhibitors. …

… In the present work, in silico molecular docking studies and in vitro enzymatic kinetic studies
… to act as potent inhibitors of AChE and to elucidate the possible mechanism of action. AChE …

… In addition, our molecular docking studies demonstrated the inhibitory activity of compounds
… potential of these compounds. This research set the foundation for further in vitro and in vivo …

… cholinesterase and butyrylcholinesterase inhibition Analogs 1–30 showed acetylcholinesterase
inhibition … , 30 and 25 exhibited good acetylcholinesterase inhibitory potential with IC 50 …

… The PDB was subjected to a 5 ns MD simulation run in order to prepare protein for
molecular docking in AMBER2018. Amber ff14SB force field was used to prepare topology of …

… In this sense, docking and dynamic molecular studies were … understanding about all the
structural aspects of molecules (-)-3-… With information, it is possible to apply molecular modeling …

… carbamate derivatives reported as potential acetylcholinesterase inhibitors (AChEIs) … For
modeling, the series of molecules was split into training set and test set. Twenty-four molecules …