Back to Search
Start Over
Phenylindenone isomers as divergent modulators of p38α MAP kinase.
- Source :
-
Bioorganic & Medicinal Chemistry Letters . Nov2016, Vol. 26 Issue 21, p5160-5163. 4p. - Publication Year :
- 2016
-
Abstract
- Two new fluorophenylindenone derivatives were designed as potential p38α MAPK modulators by preserving the key interactions of the vicinal pyridine/fluorophenyl pharmacophore with the enzyme protein. Interestingly, these two fluorophenylindenone isomers showed divergent activities, with compound 6 behaving as an inhibitor and 5 as a putative activator. These results were rationalized by docking studies and molecular dynamics simulations in terms of stabilization of DFG loop, by compound 5 in a conformation more accessible to phosphorylation. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 0960894X
- Volume :
- 26
- Issue :
- 21
- Database :
- Academic Search Index
- Journal :
- Bioorganic & Medicinal Chemistry Letters
- Publication Type :
- Academic Journal
- Accession number :
- 119002439
- Full Text :
- https://doi.org/10.1016/j.bmcl.2016.10.001