Lipoxygenase inhibition by flavonoids:: semiempirical study of the structure-activity relation

被引：34

作者：

Redrejo-Rodriguez, M ^{[1
]}

Tejeda-Cano, A ^{[1
]}

Pinto, MD ^{[1
]}

Macías, P ^{[1
]}

机构：

[1] Univ Extremadura, Fac Ciencias, Dept Bioquim & Biol Mol, E-06071 Badajoz, Spain

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2004年 / 674卷 / 1-3期

关键词：

flavonoids; semiempirical AM1 method; lipoxygenase; structure-activity relationship;

D O I：

10.1016/j.theochem.2003.12.021

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The structural and electronic properties of quercetin, taxifolin, catechin and luteloin have been investigated theoretically by semiempirical methods (AM1) and correlated with the efficiency as lipoxygenase inhibitor exert by these flavonoids. The calculated values showed that the efficiency as lipoxygenase inhibitor is related with the planarity of the molecule and with the characteristics of the frontier orbital lowest unoccupied molecular orbital. (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：121 / 124

页数：4

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