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

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

Author information

1
Alchemical Research, LLC, 426 Heckewelder Place, Bethlehem, PA 18018, USA. zalrashid@alchemicalresearch.com

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.

PMID:
21216144
PMCID:
PMC3082004
DOI:
10.1016/j.bmcl.2010.12.041
[Indexed for MEDLINE]
Free PMC Article

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