Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors

@article{Daoud2018CombinedQM,
  title={Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors},
  author={Ismail Daoud and Nadjib Melkemi and Toufik Salah and Said Ghalem},
  journal={Computational biology and chemistry},
  year={2018},
  volume={74},
  pages={
          304-326
        }
}
BACKGROUND AND PURPOSE This work deals with several molecular modeling methods used to discover new therapeutic agents for treating the Alzheimer's disease (AD). The cholinergic hypothesis was initially presented over 30 years ago and suggests that a dysfunction of acetylcholine containing neurons in the brain. Acetylcholinesterase (AChE) and Butyrylcholinesterase (BuChE) are of the keys targets of drugs for treating AD. METHODS QSAR, Molecular Docking/Dynamics and ADME properties were… CONTINUE READING