SAR comparative studies on pyrimido[4,5-b][1,4] benzothiazine derivatives as 15-lipoxygenase inhibitors, using ab initio calculations.
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.
Bakavoli
Mehdi
M
Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad 91775-1436, Iran. mbakavoli@yahoo.com
Sadeghian
Hamid
H
Tabatabaei
Zahra
Z
Rezaei
Elham
E
Rahimizadeh
Mohammad
M
Nikpour
Mohsen
M
D001093:Arachidonate 15-Lipoxygenase / Q000737:chemistry; D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000494:pharmacology*; D016859:Lipoxygenase Inhibitors; D008958:Models, Molecular; D015394:Molecular Structure; D011487:Protein Conformation; D011743:Pyrimidines; D013025:Glycine max / Q000201:enzymology; D013329:Structure-Activity Relationship; D013843:Thiazines
D004791:Enzyme Inhibitors; D016859:Lipoxygenase Inhibitors; D011743:Pyrimidines; D013843:Thiazines; D001093:Arachidonate 15-Lipoxygenase