New inhibitor of 3-phosphoinositide dependent protein kinase-1 identified from virtual screening.

Article Details

Citation

Yang W, AbdulHameed MD, Hamza A, Zhan CG

New inhibitor of 3-phosphoinositide dependent protein kinase-1 identified from virtual screening.

Bioorg Med Chem Lett. 2012 Feb 15;22(4):1629-32. doi: 10.1016/j.bmcl.2011.12.121. Epub 2012 Jan 4.

PubMed ID
22266037 [ View in PubMed
]
Abstract

3-Phosphoinositide-dependent protein kinase-1 (PDK1) has been recognized as a promising anticancer target. Thus, it is interesting to identify new inhibitors of PDK1 for anticancer drug discovery. Through a combined use of virtual screening and wet experimental activity assays, we have identified a new PDK1 inhibitor with IC(50)=~200 nM. The anticancer activities of this compound have been confirmed by the anticancer activity assays using 60 cancer cell lines. The obtained new PDK1 inhibitor and its PDK1-inhibitor binding mode should be valuable in future de novo design of novel, more potent and selective PDK1 inhibitors for future development of anticancer therapeutics.

DrugBank Data that Cites this Article

Binding Properties
DrugTargetPropertyMeasurementpHTemperature (°C)
Celecoxib3-phosphoinositide-dependent protein kinase 1IC 50 (nM)48000N/AN/ADetails