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In silico and in vitro Studies of Natural Compounds as Human CK2 Inhibitors

Author(s):

Samer Haidar*, Franziska Juergens, Dagmar Eichele and Joachim Jose   Pages 1 - 9 ( 9 )

Abstract:


Aims: Selecting natural inhibitors toward CK2 enzyme using database mining.

Background: Casein Kinase 2 (CK2) is a ubiquitous cellular serine-threonine kinase with broad spectrum of substrates. This enzyme is widely expressed in eukaryotic cells and is overexpressed in different human cancers. Thus, inhibition of CK2 can induce the physiological process of apoptosis leading to tumor cell death.

Objective: Selecting natural inhibitors toward the target enzyme using database mining.

Method: With our continuous effort to discover new compounds with CK2 inhibitory effect, several commercial natural databases were searched using molecular modeling approach and the selected compounds were evaluated in vitro.

Result: Three compounds were selected as candidates and evaluated in vitro using holoenzyme and their effect on three cancer cell lines was performed. Unfortunately, the selected candidates were weak inhibitors toward the target enzyme, and only one compound showed moderate cell viability effect on cancer cells.

Conclusion: Several natural databases were screened and compounds were selected and tested in vitro, despite of the unexpected low activity of the compounds, this study can help in directing the search of potent CK2 inhibitors and better understand the binding requirements of the ATP competitive inhibitors.

Keywords:

in silico screening, CK2, natural compounds, inhibitors, in vitro, cancer

Affiliation:

Institute for Pharmaceutical and Medicinal Chemistry, PharmaCampus, Westfälische Wilhelms-Universität Münster, nstitute for Pharmaceutical and Medicinal Chemistry, PharmaCampus Westfälische Wilhelms-Universität Münster, Institute for Pharmaceutical and Medicinal Chemistry, PharmaCampus, Westfälische Wilhelms-Universität Münster, Institute for Pharmaceutical and Medicinal Chemistry, PharmaCampus, Westfälische Wilhelms-Universität Münster



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