Design, synthesis and biological evaluation of new embelin derivatives as CK2 Inhibitors
| Autor: | Estévez Braun, Ana María, Oramas-Royo, Sandra M., Haidar, Samer, Amesty Arrieta, Ángel Ernesto, Martín-Acosta, Pedro, Feresin, Gabriela, Tapia, Alejandro, Aichele, Dagmar, Jose, Joachim |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Zdroj: | RIULL. Repositorio Institucional de la Universidad de La Laguna Universidad de La Laguna (ULL) |
| Popis: | 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 |
| Databáze: | OpenAIRE |
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