title: Synthesis of new 4-phenylpyrimidine-2(1H)-thiones and their potency to inhibit COX-1 and COX-2.
abstract: Several new 4-phenylpyrimidine-2(1H)-thiones have been prepared and investigated for their potencies to inhibit COX-1 and COX-2 enzymes, and COX-2 expression in THP-1 cells. Structure-activity-relationships and physicochemical parameters are discussed. Pharmacophore screening and docking studies were carried out for the most active compound.
authors.affiliation: Institute of Pharmaceutical Sciences, Pharmaceutical Chemistry, University of Graz, Universitätsplatz 1, 8010 Graz, Austria. Electronic address: we.seebacher@uni-graz.at.
authors.forename: Werner
authors.initials: W
authors.lastname: Seebacher
authors.affiliation: Institute of Pharmaceutical Sciences, Pharmaceutical Chemistry, University of Graz, Universitätsplatz 1, 8010 Graz, Austria.
authors.forename: Johanna
authors.initials: J
authors.lastname: Faist
authors.affiliation: Institute of Pharmaceutical Sciences, Pharmaceutical Chemistry, University of Graz, Universitätsplatz 1, 8010 Graz, Austria.
authors.forename: Armin
authors.initials: A
authors.lastname: Presser
authors.affiliation: Institute of Pharmaceutical Sciences, Pharmaceutical Chemistry, University of Graz, Universitätsplatz 1, 8010 Graz, Austria.
authors.forename: Robert
authors.initials: R
authors.lastname: Weis
authors.affiliation: Institute for Chemistry and Technology of Organic Materials (ICTM), Graz University of Technology, Stremayrgasse 9, 8010 Graz, Austria.
authors.forename: Robert
authors.initials: R
authors.lastname: Saf
authors.affiliation: Institute of Pharmacy, Pharmaceutical Chemistry, Computer-Aided Molecular Design Group, University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria.
authors.forename: Teresa
authors.initials: T
authors.lastname: Kaserer
authors.affiliation: Institute of Pharmacy, Pharmacognosy, University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria.
authors.forename: Veronika
authors.initials: V
authors.lastname: Temml
authors.affiliation: Institute of Pharmacy, Pharmaceutical Chemistry, Computer-Aided Molecular Design Group, University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria.
authors.forename: Daniela
authors.initials: D
authors.lastname: Schuster
authors.affiliation: Institute of Pharmaceutical Sciences, Pharmacognosy, University of Graz, Universitätsplatz 4, 8010 Graz, Austria.
authors.forename: Sabine
authors.initials: S
authors.lastname: Ortmann
authors.affiliation: Institute of Pharmaceutical Sciences, Pharmacognosy, University of Graz, Universitätsplatz 4, 8010 Graz, Austria.
authors.forename: Nadine
authors.initials: N
authors.lastname: Otto
authors.affiliation: Institute of Pharmaceutical Sciences, Pharmacognosy, University of Graz, Universitätsplatz 4, 8010 Graz, Austria.
authors.forename: Rudolf
authors.initials: R
authors.lastname: Bauer
mesh_terms: D051545:Cyclooxygenase 1 / Q000378:metabolism*; D051546:Cyclooxygenase 2 / Q000378:metabolism*; D016861:Cyclooxygenase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D004305:Dose-Response Relationship, Drug; D006801:Humans; D008958:Models, Molecular; D015394:Molecular Structure; D011743:Pyrimidines / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D013329:Structure-Activity Relationship; D013871:Thiones / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D016861:Cyclooxygenase Inhibitors; D011743:Pyrimidines; D013871:Thiones; D051545:Cyclooxygenase 1; D051546:Cyclooxygenase 2
keywords: 4-Phenylpyrimidine-2(1H)-thiones; Inhibition of cyclooxygenases