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
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 antican...
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Zaporozhye State Medical University
2015-02-01
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| Series: | Zaporožskij Medicinskij Žurnal |
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| Online Access: | http://zmj.zsmu.edu.ua/article/view/39873/36005 |
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doaj-f1825b40355847be9ee7c30c9c75ad3f2020-11-24T22:19:03ZengZaporozhye State Medical UniversityZaporožskij Medicinskij Žurnal2306-41452310-12102015-02-01199104http://dx.doi.org/10.14739/2310-1210.2015.1.39873Methodology for prediction of anticancer action of (2-oxo-2H-[1,2,4]¬triazino[2,3-c]-quinazolin-6-yl)thiones via QSAR and docking studiesI. S. Nosulenko O. Yu. Voskoboynik O. M. AntypenkoG. G. BerestS. I. KovalenkoAimed 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.http://zmj.zsmu.edu.ua/article/view/39873/36005QuinazolinesTriazinesCasein Kinase IIQuantitative Structure-Activity RelationshipMolecular Docking Simulation |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
I. S. Nosulenko O. Yu. Voskoboynik O. M. Antypenko G. G. Berest S. I. Kovalenko |
| spellingShingle |
I. S. Nosulenko O. Yu. Voskoboynik O. M. Antypenko G. G. Berest S. I. Kovalenko 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 Zaporožskij Medicinskij Žurnal Quinazolines Triazines Casein Kinase II Quantitative Structure-Activity Relationship Molecular Docking Simulation |
| author_facet |
I. S. Nosulenko O. Yu. Voskoboynik O. M. Antypenko G. G. Berest S. I. Kovalenko |
| author_sort |
I. S. Nosulenko |
| title |
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 |
| title_short |
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 |
| title_full |
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 |
| title_fullStr |
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 |
| title_full_unstemmed |
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 |
| title_sort |
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 |
| publisher |
Zaporozhye State Medical University |
| series |
Zaporožskij Medicinskij Žurnal |
| issn |
2306-4145 2310-1210 |
| publishDate |
2015-02-01 |
| description |
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. |
| topic |
Quinazolines Triazines Casein Kinase II Quantitative Structure-Activity Relationship Molecular Docking Simulation |
| url |
http://zmj.zsmu.edu.ua/article/view/39873/36005 |
| work_keys_str_mv |
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