Abstract
The Schiff base compound MTA ((E)-5-methyl-N'-((5-methylthiophen-2-yl)methylene)-1H-pyrazole-3-carbohydrazide) derived from 2-thiophenecarboxaldehyde and 5-methylpyrazole-3-carbohydrazide has been designed to develop new sulphur containing DNA targeted molecule. The MTA has been characterized by elemental analyses, 1H-NMR, single crystal X-ray diffraction studies as well as by geometry optimization of using DFT/B3LYP. The interaction of MTA with Calf thymus DNA (CT-DNA) was studied by spectroscopic and calorimetric techniques. The synthesized compound was found to bind with CT-DNA through groove binding mode, and the binding constant was estimated to be (4.15 ± 0.08) × 104 M−1. The negative ΔG0 and positive ΔS0 values obtained from the calorimetric technique confirmed the spontaneity of the binding of MTA with DNA.
Communicated by Ramaswamy H. Sarma
Acknowledgements
US and MD thank Science & Engineering Research Board (SERB), Govt. of India for the award of National Post-doctoral fellowships (Ref. No.PDF/2016/000080 and Ref No.PDF/2016/000334). SK thanks The Bhawanipur Education Society College for providing the research grant.
Disclosure statement
No potential conflict of interest was reported by the authors.