title: Pyrazole derived from (+)-3-carene; a novel potent, selective scaffold for sphingosine-1-phosphate (S1P(1)) receptor agonists.
abstract: High throughput screening and hit to lead optimization led to the identification of 'carene' as a promising scaffold showing selective S1P(1) receptor agonism. In parallel to this work we have established a pharmacophore model for the S1P(1) receptor highlighting the minimal structural requirement necessary for potent receptor agonism.
authors: Novartis Institutes for BioMedical Research, Novartis Campus, CH-4056 Basel, Switzerland. frederic.zecri@novartis.com
authors: Frédéric J
authors: FJ
authors: Zécri
authors: Rainer
authors: R
authors: Albert
authors: Gregory
authors: G
authors: Landrum
authors: Klaus
authors: K
authors: Hinterding
authors: Nigel G
authors: NG
authors: Cooke
authors: Danilo
authors: D
authors: Guerini
authors: Markus
authors: M
authors: Streiff
authors: Christian
authors: C
authors: Bruns
authors: Barbara
authors: B
authors: Nuesslein-Hildesheim
mesh_terms: D000081008:Bicyclic Monoterpenes; D057166:High-Throughput Screening Assays; D006860:Hydrogen Bonding; D039821:Monoterpenes / Q000737:chemistry*; D011720:Pyrazoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D049349:Receptors, Lysosphingolipid / Q000819:agonists* / Q000378:metabolism; D013237:Stereoisomerism; D013329:Structure-Activity Relationship
chemical_list: D000081008:Bicyclic Monoterpenes; D039821:Monoterpenes; D011720:Pyrazoles; D049349:Receptors, Lysosphingolipid; C031280:pyrazole; C030218:3-carene