MOLECULAR DOCKING STUDIES OF ISATIN-3-THIOSEMICARBAZONE DERIVATIVES AND CT-DNA INTERACTION FOR THEIR ZINC(II) COMPLEXES

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Published: 2017-11-02

Page: 59-65


HAKAN SEZGIN SAYINER

Department of Infectious Diseases, Faculty of Medicine, Adiyaman University, Adiyaman, Turkey

NSER AHMED MASSOUD MOHAMMED

Department of Genetic and Bioengineering, Faculty of Engineering and Architecture, Kastamonu University, 37000 Kastamonu, Turkey

YUNUS KAYA

Department of Chemistry, Faculty of Natural Sciences, Architecture and Engineering. Bursa Technical University, 16190 Bursa, Turkey

MUSTAFA LAWAR

Department of Genetic and Bioengineering, Faculty of Engineering and Architecture, Kastamonu University, 37000 Kastamonu, Turkey

CENGIZ BALOGLU

Department of Genetic and Bioengineering, Faculty of Engineering and Architecture, Kastamonu University, 37000 Kastamonu, Turkey

YASEMIN CELIK ALTUNOGLU

Department of Genetic and Bioengineering, Faculty of Engineering and Architecture, Kastamonu University, 37000 Kastamonu, Turkey

FATMA KANDEMIRLI *

Department of Biomedical Engineering, Faculty of Engineering and Architecture, Kastamonu University, 37000 Kastamonu, Turkey

*Author to whom correspondence should be addressed.


Abstract

Isatin-3-thiosemicarbazone derivatives and their metal complexes (Zn & Ni) have been used to carry out DNA binding studies with DNA (downloaded from Protein Data Bank) using Discovery Studio 3.5 to find the most preferred binding mode of the ligands inside the DNA. Molecular docking studies were performed using the Autodock/Vina program. It was found that binding of the all molecules to DNA was through minor groove.

Interaction of zinc complexes of 1H-Indole-2,3-Dione-3-(N-phenyl) thiosemicarbazione, 1H-Indole-2,3-Dione-3 [N-(4-nitrophenyl) thiosemicarbazone] and 1H-Indole-2,3-Dione-3-(N-benzyl) thiosemicarbazone with CT-DNA was carried out increasing concentration of DNA from 0 to 30μl by using UV spectrophotometer study. Increasing CT-DNA concentration for [Zn(HPTSC)2], [Zn(H4NPTSC)2], [Zn(HBTSC)2] caused the changes in absorbance.

Keywords: Isatin-3-thiosemicarbazone, Ligand and metal complexes of thiosemicarbazone, AutoDock-Vina


How to Cite

SAYINER, H. S., MOHAMMED, N. A. M., KAYA, Y., LAWAR, M., BALOGLU, C., ALTUNOGLU, Y. C., & KANDEMIRLI, F. (2017). MOLECULAR DOCKING STUDIES OF ISATIN-3-THIOSEMICARBAZONE DERIVATIVES AND CT-DNA INTERACTION FOR THEIR ZINC(II) COMPLEXES. Journal of International Research in Medical and Pharmaceutical Sciences, 12(2), 59–65. Retrieved from https://ikprress.org/index.php/JIRMEPS/article/view/3573

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