Discovery of a novel series of DHODH inhibitors by a docking procedure and QSAR refinement.
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.
Leban
Johann
J
4SC AG, Am Klopferspitz 19a, 82152 Martinsried, Germany. leban@4sc.com
Saeb
Wael
W
Garcia
Gabriel
G
Baumgartner
Roland
R
Kramer
Bernd
B
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
D000090722:Dihydroorotate Dehydrogenase; D004791:Enzyme Inhibitors; D044925:Oxidoreductases Acting on CH-CH Group Donors