… Accordingly, the present work is an in vitro activity, along with docking and molecular … the
stability of protein-ligand complexes, a molecular docking with molecular dynamics simulation …

… molecular docking has emerged as a common tool for investigating molecular recognition
between ligand and protein … In this regards, molecular docking was employed to explore …

… The final compounds were evaluated as acetylcholinesterase (AChE) and butyrylcholinestrase
(BuChE) inhibitors, as well as antioxidant agents. The synthesized compounds showed …

… hydrophilic and hydrophobic interactions, as revealed by molecular docking studies [26b]. …
as dual acetylcholinesterase/butyrylcholinesterase inhibitors. Molecular docking studies were …

… ligandprotein docking is to probe the predominant binding modes of a ligand with a protein
… In the present study, we have performed molecular docking of the coumarin derivatives with …

… ) inhibitors was carried out using statistical methods, molecular dynamics and molecular
docking simulation. … Docking simulations were carried out using AutoDock Vina software for all …

… Molecular docking was used to identify the small molecules that were able to fit well into the
… the molecular docking studies and to determine the accurate orientation of ligands in protein …

… kinetic, and molecular docking studies to predict their modes of inhibition, and interactions
… of compound 15 in the active site gorge of butyrylcholinestrase (PDB ID: 1P0P). Hydrogen …

… Enzyme inhibition activity was performed against butyrylcholinestrase enzyme, which …
molecule may be attributed to the 4-ethylphenyl group. As the cholinesterase enzyme inhibitors …

… In order to better understand the putative binding mode at the active site of the target protein,
molecular docking study for the most active compound (23e) was performed against the …