Journal of International Research in Medical and Pharmaceutical Sciences
 

Journal of International Research in Medical and Pharmaceutical Sciences, ISSN No. : 2395-4477 (Print), 2395-4485 (Online), Vol.: 12, Issue.: 2

Original Research Article

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

 

HAKAN SEZGIN SAYINER1, NSER AHMED MASSOUD MOHAMMED2, YUNUS KAYA3, MUSTAFA LAWAR2, CENGIZ BALOGLU2, YASEMIN CELIK ALTUNOGLU2 AND FATMA KANDEMIRLI4*

1Department of Infectious Diseases, Faculty of Medicine, Adiyaman University, Adiyaman,  Turkey.

2Department of Genetic and Bioengineering, Faculty of Engineering and Architecture, Kastamonu University, 37000 Kastamonu, Turkey. 

3Department of Chemistry, Faculty of Natural Sciences, Architecture and Engineering. Bursa Technical University, 16190 Bursa, Turkey.

4Department of Biomedical Engineering, Faculty of Engineering and Architecture, Kastamonu University, 37000 Kastamonu, Turkey.

Abstracts

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.