(+)-Arisugacin A——乙酰胆碱酯酶双重结合位点共价抑制剂的计算证据。
(+)-Arisugacin A--computational evidence of a dual binding site covalent inhibitor of acetylcholinesterase.
机构信息
Alchemical Research, LLC, 426 Heckewelder Place, Bethlehem, PA 18018, USA.
出版信息
Bioorg Med Chem Lett. 2011 May 1;21(9):2687-91. doi: 10.1016/j.bmcl.2010.12.041. Epub 2010 Dec 16.
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.
摘要
呈现了一种高效能、非含氮、乙酰胆碱酯酶抑制剂 (+)-阿里他汀 A 的计算对接研究。该模型表明，(+)-阿里他汀 A 是 AChE 的双结合位点共价抑制剂。这些发现是在阿尔茨海默病治疗设计的背景下进行检查的。(+)-阿里他汀 A 的作用机制是独特的，可能成为开发能够治疗 AD 症状的 AD 治疗药物的基础，同时具有长期疗效的神经保护作用。
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