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

Authors

  • I. S. Nosulenko
  • O. Yu. Voskoboynik
  • O. M. Antypenko
  • G. G. Berest
  • S. I. Kovalenko

DOI:

https://doi.org/10.14739/2310-1210.2015.1.39873

Keywords:

Quinazolines, Triazines, Casein Kinase II, Quantitative Structure-Activity Relationship, Molecular Docking Simulation

Abstract

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.

 

References

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Nosulenko IS, Voskoboynik OY, Antypenko OM, Berest GG, Kovalenko SI. 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. Zaporozhye Medical Journal [Internet]. 2015Feb.9 [cited 2024Oct.16];17(1). Available from: http://zmj.zsmu.edu.ua/article/view/39873

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Problems of pharmacy