Synthesis and molecular docking studies of some novel Schiff bases incorporating 6-butylquinolinedione moiety as potential topoisomerase IIβ inhibitors.

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ID: 100191
2018
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Abstract
A series of novel pyranoquinolinone-based Schiff's bases were designed and synthesized. They were evaluated for topoisomerase IIβ (TOP2B) inhibitory activity, and cytotoxicity against breast cancer cell line (MCF-7) for the development of novel anticancer agents. A molecular docking study was employed to investigate their binding and functional properties as TOP2B inhibitors, using the Discovery Studio 2.5 software, where they showed very interesting ability to intercalate the DNA-topoisomerase complex. Compounds , and showed high docking score values (82.36% -29.98 kcal mol for compound , 78.18% -26.98 kcal mol for compound and 78.65, -28.11 kcal mol for compound ) and revealed the highest enzyme inhibition activity. The best hit compounds exhibited highly potent TOP2B inhibitors with submicromolar IC50 at 5 µM compared to the reference doxorubicin.
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hassanin2018synthesisroyal Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Hassanin, Hany M;Serya, Rabah A T;Abd Elmoneam, Wafaa R;Mostafa, Mai A;
Journal Royal Society open science
Year 2018
DOI
10.1098/rsos.172407
URL
Keywords
molecular docking anti-cancer topoisomerase schiff bases pyrane quinolone

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