Conformational analysis of N-arachidonylethanolamide (anandamide) using nuclear magnetic resonance and theoretical calculations

被引：14

作者：

Bonechi, C

Brizzi, A

Brizzi, V

Francioli, M

Donati, A

Rossi, C

机构：

[1] Univ Siena, Dept Chem & Biosyst Sci, I-53100 Siena, Italy

[2] Univ Siena, Dept Pharmaceut Chem, I-53100 Siena, Italy

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 2001年 / 39卷 / 08期

关键词：

NMR; H-1; C-13; anandamide; conformational study; theoretical calculation;

D O I：

10.1002/mrc.864

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The conformational properties of cis-5,8,11,14-eicosatetraenoyiethanolamide (anandamide) were analysed by the combined use of NMR experimental results plus molecular simulations. The structure of anandamide was found to be a predominantly linear with a seven-atom ring of the ethanolamine group having a hydrogen bond which stabilizes the molecule. The vinylic group present has a cis conformation in solution. The terminal chain has a linear conformation and undergoes isotropic fast motion typical of this structure. Copyright (C) 2001 John Wiley & Sons, Ltd.

引用

页码：432 / +

页数：7

共 22 条

[1] CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS [J].