(+)-Arisugacin A--computational evidence of a dual binding site covalent inhibitor of acetylcholinesterase.

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Al-Rashid ZF, Hsung RP

(+)-Arisugacin A--computational evidence of a dual binding site covalent inhibitor of acetylcholinesterase.

Bioorg Med Chem Lett. 2011 May 1;21(9):2687-91. doi: 10.1016/j.bmcl.2010.12.041. Epub 2010 Dec 16.

PubMed ID
21216144 [ View in PubMed
]
Abstract

A computation docking study of the highly potent, non-nitrogen containing, acetylcholinesterase inhibitor (+)-arisugacin A is presented. The model suggests that (+)-arisugacin A is a dual binding site covalent inhibitor of AChE. These findings are examined in the context of Alzheimer's disease-modifying therapeutic design. (+)-Arisugacin A's revealed mode of action is unique, and may serve as a basis for the development of AD therapeutics capable of treating the symptomatic aspects of AD, while being neuroprotective with long term efficacy.

DrugBank Data that Cites this Article

Binding Properties
DrugTargetPropertyMeasurementpHTemperature (°C)
DonepezilAcetylcholinesteraseIC 50 (nM)6N/AN/ADetails
GalantamineAcetylcholinesteraseIC 50 (nM)350N/AN/ADetails
Huperzine AAcetylcholinesteraseIC 50 (nM)5N/AN/ADetails
RivastigmineAcetylcholinesteraseIC 50 (nM)54N/AN/ADetails
TacrineAcetylcholinesteraseIC 50 (nM)200N/AN/ADetails