The existence of a second allosteric site on the M1 muscarinic acetylcholine receptor and its implications for drug design

被引：18

作者：

Espinoza-Fonseca, LM ^{[1
]}

Trujillo-Ferrara, JG

机构：

[1] Univ Minnesota, Dept Biochem Mol Biol & Biophys, Minneapolis, MN 55455 USA

[2] Inst Politecn Nacl, Escuela Super Med, Secc Estudios Posgrado & Invest, Mexico City 11340, DF, Mexico

[3] Inst Politecn Nacl, Escuela Super Med, Dept Bioquim, Mexico City 11340, DF, Mexico

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2006年 / 16卷 / 05期

关键词：

M-1 muscarinic receptor; Alzheimer's disease; staurosporine derivatives; multiple allosteric sites; blind docking; relax complex scheme; molecular dynamics simulations;

D O I：

10.1016/j.bmcl.2005.11.097

中图分类号：

R914 [药物化学];

学科分类号：

100701 [药物化学];

摘要：

Fully flexible docking of KT5720, an allosteric modulator of the muscarinic receptors, was performed on a dynamic model of the M-1 muscarinic acetylcholine receptor. The results confirmed the existence of a second allosteric site, located on the intracellular face of the receptor. These results would be beneficial for the design of modulators of this receptor to be used as an effective alternative against the Alzheimer's disease. (C) 2005 Published by Elsevier Ltd.

引用

页码：1217 / 1220

页数：4

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