title: Discovery of a novel series of DHODH inhibitors by a docking procedure and QSAR refinement.
abstract: A novel series of DHODH inhibitors was developed based on a lead which was obtained by a docking procedure and a medicinal chemistry exploration. The activity of the initial lead was improved by a QSAR method to yield low nanomolar inhibitors.
authors.affiliation: 4SC AG, Am Klopferspitz 19a, 82152 Martinsried, Germany. leban@4sc.com
authors.forename: Johann
authors.initials: J
authors.lastname: Leban
authors.forename: Wael
authors.initials: W
authors.lastname: Saeb
authors.forename: Gabriel
authors.initials: G
authors.lastname: Garcia
authors.forename: Roland
authors.initials: R
authors.lastname: Baumgartner
authors.forename: Bernd
authors.initials: B
authors.lastname: Kramer
mesh_terms: D001665:Binding Sites / Q000187:drug effects / Q000502:physiology; D000090722:Dihydroorotate Dehydrogenase; D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology; D006801:Humans; D044925:Oxidoreductases Acting on CH-CH Group Donors / Q000037:antagonists & inhibitors* / Q000378:metabolism; D021281:Quantitative Structure-Activity Relationship
chemical_list: D000090722:Dihydroorotate Dehydrogenase; D004791:Enzyme Inhibitors; D044925:Oxidoreductases Acting on CH-CH Group Donors