RT info:eu-repo/semantics/article
T1 Design, synthesis and biological evaluation of new embelin derivatives as CK2 Inhibitors
A1 Estévez Braun, Ana María
A1 Oramas-Royo, Sandra M.
A1 Haidar, Samer
A1 Amesty Arrieta, Ángel Ernesto
A1 Martín-Acosta, Pedro
A1 Feresin, Gabriela
A1 Tapia, Alejandro
A1 Aichele, Dagmar
A1 Jose, Joachim
AB A new series of furan embelin derivatives was synthesized and characterized as ATPcompetitiveCK2 inhibitors. The new compounds were efficiently synthesized using amulticomponent approach from embelin (1), aldehydes and isonitriles through aKnoevenagel condensation/ Michael addition/ heterocyclization. Several compoundswith 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 outto 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 couldhelp to further optimize this family of compounds as CK2 inhibitors
LK http://riull.ull.es/xmlui/handle/915/18632
UL http://riull.ull.es/xmlui/handle/915/18632
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DS Repositorio institucional de la Universidad de La Laguna
RD 02-dic-2024