Publications (2)8.02 Total impact
-
Article: Virtual screening discovery of new acetylcholinesterase inhibitors issued from CERMN chemical library.
[show abstract] [hide abstract]
ABSTRACT: In our quest to find new inhibitors able to inhibit acetylcholinesterase (AChE) and, at the same time, to protect neurons from beta amyloid toxicity, i.e., inhibitors interacting with the catalytic anionic subsite as well as with the peripherical anionic site of AChE, a virtual screening of the Centre d'Etudes et de Recherche sur le Medicament de Normandie (CERMN) chemical library was carried out. Two complementary approaches were applied, i.e., a ligand- and a structure-based screening. Each screening led to the selection of different compounds, but only two were present in both screening results. In vitro tests on AChE showed that one of those compounds presented a very good inhibition activity, of the same order as Donepezil. This result shows the real complementary of both methods for the discovery of new ligands.Journal of Chemical Information and Modeling 03/2010; 50(3):422-8. · 4.68 Impact Factor -
Article: Synthesis and biological evaluation as AChE inhibitors of new indanones and thiaindanones related to donepezil.
[show abstract] [hide abstract]
ABSTRACT: Sixty-four new indanones and thiaindanones related to donepezil were synthesized and evaluated in vitro as potential AChE inhibitors. Among them, 11 derivatives were found to inhibit the enzyme in the submicromolar range; the best compound revealed its inhibitory activity with an IC50 in the same range (0.06 microM) than the reference compound, donepezil (IC50=0.02 microM).European Journal of Medicinal Chemistry 01/2006; 40(12):1222-45. · 3.35 Impact Factor
