title: Design and synthesis of pyrimido[4,5-b][1,4]benzothiazine derivatives, as potent 15-lipoxygenase inhibitors.
abstract: A group of 2-substituted pyrimido[4,5-b][1,4]benzothiazines were designed, synthesized, and evaluated as potential inhibitors of 15-lipoxygenase (15-LO). Compounds 4d and 4e showed the best IC50 of 15-LO inhibition (IC50=18 and 34 microM, respectively). All compounds were docked into 15-LO. As a result the sulfur atom was oriented toward the iron atom of the active site of 15-LO. We suggest the interaction of the iron atom is essential for the activity of the inhibitors.
authors.affiliation: Department of Chemistry, School of Sciences, Ferdowsi University, Mashhad 91775-1436, Iran. mbakavoli@yahoo.com
authors.forename: M
authors.initials: M
authors.lastname: Bakavoli
authors.forename: M
authors.initials: M
authors.lastname: Nikpour
authors.forename: M
authors.initials: M
authors.lastname: Rahimizadeh
authors.forename: M R
authors.initials: MR
authors.lastname: Saberi
authors.forename: H
authors.initials: H
authors.lastname: Sadeghian
mesh_terms: D016859:Lipoxygenase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship; D013055:Spectrophotometry, Infrared; D013843:Thiazines / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*
chemical_list: C446962:1,4-benzothiazine; D016859:Lipoxygenase Inhibitors; D013843:Thiazines