SAR comparative studies on pyrimido[4,5-b][1,4] benzothiazine derivatives as 15-lipoxygenase inhibitors, using ab initio calculations

被引：27

作者：

Bakavoli, Mehdi ^{[1
,2
]}

Sadeghian, Hamid ^{[1
]}

Tabatabaei, Zahra ^{[1
]}

Rezaei, Elham ^{[2
]}

Rahimizadeh, Mohammad ^{[1
]}

Nikpour, Mohsen ^{[3
]}

机构：

[1] Ferdowsi Univ Mashhad, Dept Chem, Fac Sci, Mashhad 917751436, Iran

[2] Islamic Azad Univ, Dept Chem, Sch Sci, Mashhad 91735413, Iran

[3] Islamic Azad Univ, Dept Chem, Sch Sci, Farhangshahr, Ahwaz, Iran

来源：

JOURNAL OF MOLECULAR MODELING | 2008年 / 14卷 / 06期

关键词：

5-bromo-2; 4-dichloropyrimidine; docking; SLO; QSAR;

D O I：

10.1007/s00894-008-0298-8

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The enzyme inhibitory activity of a new group of 2-substituted pyrimido[4,5-b][1,4]benzothiazines on soybean 15-lipoxygenase (15-LO) was evaluated and compared with those of their 4-methyl analogs using ab initio calculations. The results of these studies showed that the lack of 4-methyl substituent in the pyrimido[4,5-b][1,4] benzothiazine molecules greatly reduces their 15-LO inhibitory activities.

引用

页码：471 / 478

页数：8