Methodology for prediction of anticancer action of (2-oxo-2H-[1,2,4]¬triazino[2,3-c]-quinazolin-6-yl)thiones via QSAR and docking studies
DOI:
https://doi.org/10.14739/2310-1210.2015.1.39873Keywords:
Quinazolines, Triazines, Casein Kinase II, Quantitative Structure-Activity Relationship, Molecular Docking SimulationAbstract
Aimed to elaborate new group of protein kinase inhibitors we conducted receptor-based screening (docking, QSAR modeling) and biochemical testing for derivatives of (2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)thiones.
Methods and results. This study allowed identifying of new potential anticancer compounds among (2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)thiones’ derivatives.
Conclusion. Obtained data may be used for the development of more active and selective inhibitors of protein CK2 kinase. Besides that QSAR-models which were created may be used for planning of chemical modification of structure aimed to creation of new anticancer agents.
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