Evaluation of inhibitory effects of benzothiazole and 3-amino-benzothiazolium derivatives on DNA topoisomerase II by molecular modeling studies

Simple item page
buir.contributor.authorÖzen, Çiğdem
dc.citation.epage649en_US
dc.citation.issueNumber8en_US
dc.citation.spage637en_US
dc.citation.volumeNumber25en_US
dc.contributor.authorAkı-Yalçın, E.en_US
dc.contributor.authorErtan-Bolelli, T.en_US
dc.contributor.authorTaşkın-Tok, T.en_US
dc.contributor.authorÖztürk, Ö.en_US
dc.contributor.authorAtaei, S.en_US
dc.contributor.authorÖzen, Çiğdemen_US
dc.contributor.authorYıldız, I.en_US
dc.contributor.authorYalçın, I.en_US
dc.date.accessioned2016-02-08T11:01:30Z
dc.date.available2016-02-08T11:01:30Z
dc.date.issued2014en_US
dc.departmentDepartment of Molecular Biology and Geneticsen_US
dc.departmentGenetics and Biotechnology Research Center (BİLGEN)en_US
dc.description.abstractThere has been considerable interest in DNA topoisomerases over the last decade, as they have been shown to be one of the major cellular targets in anticancer drug development. Previously we synthesized some benzothiazole derivatives and corresponding benzothiazolium forms, and tested their DNA inhibitory activity to develop novel antitumor agents. Among the 12 prepared compounds, compound BM3 (3-aminobenzothiazole-3-ium 4-methylbenzene sulfonate) exhibited extreme topoisomerase II inhibitory activity compared with the reference drug etoposide. We also tried to determine the DNA and enzyme binding abilities of BM3 and found that BM3 acted on topoisomerase II first at low doses, while it had also showed DNA minor groove binding properties at higher doses. In this study the interactions between DNA topoisomerase II and the compounds were examined in detail by molecular modelling studies such as molecular docking and pharmacophore analysis performed using Discovery Studio 3.5. As a result, it was found that benzothiazolium compounds exhibited a totally different mechanism than benzothiazoles by binding to the different amino acids at the active site of the protein molecule. 3-Aminobenzothiazoliums are worthy of carrying onto anticancer studies; BM3 especially would be a good anticancer candidate for preclinical studies.en_US
dc.identifier.doi10.1080/1062936X.2014.923039en_US
dc.identifier.eissn1029-046X
dc.identifier.issn1062-936X
dc.identifier.urihttp://hdl.handle.net/11693/26556
dc.language.isoEnglishen_US
dc.publisherTaylor and Francisen_US
dc.relation.isversionofhttps://doi.org/10.1080/1062936X.2014.923039en_US
dc.source.titleSAR and QSAR in Environmental Researchen_US
dc.subjectAnticanceren_US
dc.subjectBenzothiazoleen_US
dc.subjectBenzothiazoliumen_US
dc.subjectMolecular dockingen_US
dc.subjectPharmacophore analysisen_US
dc.subjectTopoisomerase IIen_US
dc.titleEvaluation of inhibitory effects of benzothiazole and 3-amino-benzothiazolium derivatives on DNA topoisomerase II by molecular modeling studiesen_US
dc.typeArticleen_US
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
Evaluation_of_inhibitory_effects_of_benzothiazole_and_3_amino_benzothiazolium_derivatives_on_DNA_topoisomerase_II_by_molecular_modeling_studies.pdf
Size:
636.42 KB
Format:
Adobe Portable Document Format
Description:
View / Download
Download
Collections
Department of Molecular Biology and Genetics
Genetics and Biotechnology Research Center (BİLGEN)