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Identification and structure activity relationships of quinoline tertiary alcohol modulators of RORγt.
- Source :
-
Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2017 May 01; Vol. 27 (9), pp. 2047-2057. Date of Electronic Publication: 2017 Feb 21. - Publication Year :
- 2017
-
Abstract
- A high-throughput screen of the ligand binding domain of the nuclear receptor retinoic acid-related orphan receptor gamma t (RORγt) employing a thermal shift assay yielded a quinoline tertiary alcohol hit. Optimization of the 2-, 3- and 4-positions of the quinoline core using structure-activity relationships and structure-based drug design methods led to the discovery of a series of modulators with improved RORγt inhibitory potency and inverse agonism properties.<br /> (Copyright © 2017 Elsevier Ltd. All rights reserved.)
- Subjects :
- Humans
Molecular Docking Simulation
Nuclear Receptor Subfamily 1, Group F, Member 3 metabolism
Structure-Activity Relationship
Th17 Cells drug effects
Drug Design
Drug Inverse Agonism
Nuclear Receptor Subfamily 1, Group F, Member 3 antagonists & inhibitors
Quinolines chemistry
Quinolines pharmacology
Subjects
Details
- Language :
- English
- ISSN :
- 1464-3405
- Volume :
- 27
- Issue :
- 9
- Database :
- MEDLINE
- Journal :
- Bioorganic & medicinal chemistry letters
- Publication Type :
- Academic Journal
- Accession number :
- 28318945
- Full Text :
- https://doi.org/10.1016/j.bmcl.2017.02.044