New potent human acetylcholinesterase inhibitors in the tetracyclic triterpene series with inhibitory potency on amyloid β aggregation. - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue European Journal of Medicinal Chemistry Année : 2011

New potent human acetylcholinesterase inhibitors in the tetracyclic triterpene series with inhibitory potency on amyloid β aggregation.

Résumé

New acetylcholinesterase inhibitors in the tetracyclic triterpene series were synthesized, tested in vitro for the inhibition of cholinesterases (different sources of AChE and BuChE) and for the ability to prevent AChE-induced Aβ aggregation. Some compounds have hAChE IC50 values in the nanomolar range and showed ability to block the AChE-induced Aβ aggregation. The mode of interaction between EeAChE and compounds 1 and 36e was investigated using docking and molecular dynamics simulations. These studies suggested that both compounds interact simultaneously with the catalytic and the peripheral sites of AChE, and the nature of protein-ligand interactions is mainly hydrophobic.
Fichier principal
Vignette du fichier
Rouleau_EurJMedChem_2011_2193.pdf (1.26 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-00606165 , version 1 (07-03-2021)

Identifiants

Citer

Julien Rouleau, Bogdan I Iorga, Catherine Guillou. New potent human acetylcholinesterase inhibitors in the tetracyclic triterpene series with inhibitory potency on amyloid β aggregation.. European Journal of Medicinal Chemistry, 2011, 46 (6), pp.2193-2205. ⟨10.1016/j.ejmech.2011.02.073⟩. ⟨hal-00606165⟩
103 Consultations
46 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More