The first example of an inhibitor of the kinase TAK1 that binds in the DFG-out conformation is disclosed. These preliminary studies used kinase-targeted screening and structure-based drug design to create a molecule with dual pharmacological inhibition of p38 and TAK1 that demonstrated significant activity in a cell-based, anti-inflammatory assay.
Author(s):
Kilty, I., Green, M. P., Bell, A. S., Brown, D. G., Dodd, P. G., Hewson, C., Hughes, S. J., Phillips, C., Ryckmans, T., Smith, R. T., van Hoorn, W. P., Cohen, P., Jones, L. H.
PubMed:
23745990
Citation:
Kilty, I., Green, M. P., Bell, A. S., Brown, D. G., Dodd, P. G., Hewson, C., Hughes, S. J., Phillips, C., Ryckmans, T., Smith, R. T., van Hoorn, W. P., Cohen, P., Jones, L. H.
Kilty, I., Green, M. P., Bell, A. S., Brown, D. G., Dodd, P. G., Hewson, C., Hughes, S. J., Phillips, C., Ryckmans, T., Smith, R. T., van Hoorn, W. P., Cohen, P., Jones, L. H.
Chem Biol Drug Des
2013
82
500-5
PMID: 23745990