title: Indolin-2-one p38α inhibitors I: design, profiling and crystallographic binding mode.
abstract: The use of structure-based design and molecular modeling led to the discovery of indolin-2-one derivatives as potent and selective p38α inhibitors. The predicted binding mode was confirmed by X-ray crystallography.
authors.affiliation: Almirall Research Center, Almirall S.A., Ctra. Laureà Miró 408, E-08980 St. Feliu de Llobregat, Barcelona, Spain. paul.eastwood@almirall.com
authors.forename: Paul
authors.initials: P
authors.lastname: Eastwood
authors.forename: Jacob
authors.initials: J
authors.lastname: González
authors.forename: Elena
authors.initials: E
authors.lastname: Gómez
authors.forename: Bernat
authors.initials: B
authors.lastname: Vidal
authors.forename: Francisco
authors.initials: F
authors.lastname: Caturla
authors.forename: Ramón
authors.initials: R
authors.lastname: Roca
authors.forename: Cristina
authors.initials: C
authors.lastname: Balagué
authors.forename: Adelina
authors.initials: A
authors.lastname: Orellana
authors.forename: María
authors.initials: M
authors.lastname: Domínguez
mesh_terms: D000818:Animals; D001665:Binding Sites; D018360:Crystallography, X-Ray; D015195:Drug Design; D006801:Humans; D007211:Indoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000493:pharmacokinetics; D008862:Microsomes, Liver / Q000378:metabolism; D048308:Mitogen-Activated Protein Kinase 14 / Q000037:antagonists & inhibitors* / Q000378:metabolism; D047428:Protein Kinase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000493:pharmacokinetics; D017434:Protein Structure, Tertiary; D051381:Rats; D013329:Structure-Activity Relationship
chemical_list: D007211:Indoles; D047428:Protein Kinase Inhibitors; C456900:indolin-2-one; D048308:Mitogen-Activated Protein Kinase 14