Universität zu Köln

Swider, R., Maslyk, M., Zapico, J. M., Coderch, C., Panchuk, R., Skorokhyd, N., Schnitzler, A., Niefind, K., de Pascual-Teresa, B. and Ramos, A. (2015). Synthesis, biological activity and structural study of new benzotriazole-based protein kinase CK2 inhibitors. RSC Adv., 5 (89). S. 72482 - 72495. CAMBRIDGE: ROYAL SOC CHEMISTRY. ISSN 2046-2069

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Abstract

A new series of 4,5,6,7-tetrabromobenzotriazole (TBB) derivatives was synthesized and characterized as CK2 inhibitors. They were readily synthesized using a click chemistry approach based on a Cu(I)-catalyzed azide-alkyne 1,3-dipolar cycloaddition (CuAAC). Some of the synthesized compounds present interesting inhibitory activities using an in vitro assay, with K-i values in the low micro molar range and a high degree of selectivity against a panel of 24 kinases. Selected compounds were tested for their antiproliferative effect on several cancer cell lines, and for their proapoptotic activity towards human Jurkat T-leukemia and MCF-7 breast adenocarcinoma cells, showing that they can be proposed as promising anticancer agents. Docking studies as well as crystallographic analysis allowed us to identify ligand-CK2 interactions that account for the molecular recognition process, and can help to further optimize this family of compounds as CK2 inhibitors.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Swider, R. UNSPECIFIED UNSPECIFIED UNSPECIFIED Maslyk, M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Zapico, J. M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Coderch, C. UNSPECIFIED UNSPECIFIED UNSPECIFIED Panchuk, R. UNSPECIFIED UNSPECIFIED UNSPECIFIED Skorokhyd, N. UNSPECIFIED UNSPECIFIED UNSPECIFIED Schnitzler, A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Niefind, K. UNSPECIFIED UNSPECIFIED UNSPECIFIED de Pascual-Teresa, B. UNSPECIFIED UNSPECIFIED UNSPECIFIED Ramos, A. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-416015
DOI:	10.1039/c5ra12114k
Journal or Publication Title:	RSC Adv.
Volume:	5
Number:	89
Page Range:	S. 72482 - 72495
Date:	2015
Publisher:	ROYAL SOC CHEMISTRY
Place of Publication:	CAMBRIDGE
ISSN:	2046-2069
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language DIRECTED INHIBITORS; ACCURATE DOCKING; CASEIN KINASE-2; FEATURES; DESIGN; GLIDE; SITE; DOXORUBICIN; DISCOVERY; APOPTOSIS Multiple languages Chemistry, Multidisciplinary Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/41601