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

作者：Yang, Wenchao; AbdulHameed, Mohamed Diwan M.; Hamza, Adel; Zhan, Chang-Guo^*

来源：Bioorganic & Medicinal Chemistry Letters, 2012, 22(4): 1629-1632.

DOI：10.1016/j.bmcl.2011.12.121

• Enzyme
• Enzyme inhibitor
• Inhibitor identification
• Anticancer activity

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 IC50 = similar to 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.

• 出版日期2012-2-15
• 单位华中师范大学