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

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Rouleau J, Iorga BI, Guillou C

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

Eur J Med Chem. 2011 Jun;46(6):2193-205. doi: 10.1016/j.ejmech.2011.02.073. Epub 2011 Mar 23.

PubMed ID

21435752 [ View in PubMed

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Abstract

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 Abeta aggregation. Some compounds have hAChE IC50 values in the nanomolar range and showed ability to block the AChE-induced Abeta 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.

DrugBank Data that Cites this Article

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
Tacrine	Acetylcholinesterase	IC 50 (nM)	484	N/A	N/A	Details