Phosphatidylinositol 3-kinase (PI3K)
 Phosphatidylinositol 3-kinase (PI3K)
Ligand in PI3K active site.
Docking example from OTAVAchemicals PI3K focused library.
The detection of H-bonding between ligand and key PI3K residue (Val882) was used for the library preparation.

The phosphatidylinositol 3-kinase (PI3K)/Akt (protein kinase B, PKB) signaling pathway plays a critical role in cell growth and survival. Dysregulation of this pathway has been found in a variety of cancer cells. Recently, constitutively active PI3K/Akt signaling has been firmly established as a major determinant for cell growth and survival in an array of cancers. Blocking the constitutively active PI3K/AKT signaling pathway provides a new strategy for targeted cancer therapy. Thus, inhibitors of this signaling pathway would be potential anticancer agents, particularly for cancer cells whose survival and growth are dominated by constitutively active PI3K/Akt signaling.

The focused libraries, including docking scores and drug-like properties, are available on request.

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Chen, Y. L.; Law, P.- Y.; Loh, H. H.
Inhibition of PI3K/Akt Signaling: An Emerging Paradigm for Targeted Cancer. Curr Med Chem Anticancer Agents. 2005 Nov;5(6):575-89