title: SAR comparative studies on pyrimido[4,5-b][1,4] benzothiazine derivatives as 15-lipoxygenase inhibitors, using ab initio calculations.
abstract: 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.
authors.affiliation: Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad 91775-1436, Iran. mbakavoli@yahoo.com
authors.forename: Mehdi
authors.initials: M
authors.lastname: Bakavoli
authors.forename: Hamid
authors.initials: H
authors.lastname: Sadeghian
authors.forename: Zahra
authors.initials: Z
authors.lastname: Tabatabaei
authors.forename: Elham
authors.initials: E
authors.lastname: Rezaei
authors.forename: Mohammad
authors.initials: M
authors.lastname: Rahimizadeh
authors.forename: Mohsen
authors.initials: M
authors.lastname: Nikpour
mesh_terms: 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
chemical_list: D004791:Enzyme Inhibitors; D016859:Lipoxygenase Inhibitors; D011743:Pyrimidines; D013843:Thiazines; D001093:Arachidonate 15-Lipoxygenase