A new series of furan embelin derivatives was synthesized and characterized as ATPcompetitive
CK2 inhibitors. The new compounds were efficiently synthesized using a
multicomponent approach from embelin (1), aldehydes and isonitriles through a
Knoevenagel condensation/ Michael addition/ heterocyclization. Several compounds
with inhibitory activities in the low micromolar or even submicromolar were identified.
The most active derivative was compound 4l (2-(tert-butylamino)-3-(furan-3-yl)-5-
hydroxy-6-undecylbenzofuran-4,7-dione) with an IC50 value of 0.63 μM. It turned out
to be an ATP competitive CK2 inhibitor with a Ki value determined to be 0.48 μM.
Docking studies allowed the identification of key ligand-CK2 interactions, which could
help to further optimize this family of compounds as CK2 inhibitors
