Theoretical and Spectroscopic Studies of SN Donor Thiosemicarbazone Ligand and Its Pt(II) Complex

Abstract

Sulphur-nitrogen(SN) donor thiosemicarbazone ligand [(Z)-N-ethyl-2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbothioamide] and its Pt(II) complex were synthesized by condensation method. The compounds were structurally characterized by elemental analysis CHNS, FT-IR, and NMR analysis. The elemental analyses data for the compounds were in good agreement with the theoretical values. The melting point of the complex was higher than the ligand, as expected. The FT-IR spectral data reflect a bidentate bonding of thiosemicarbazone ligand to Pt(II) ion through thioketo sulfur and azomethine nitrogen. The docking results (theoretical results) of these compounds show that the binding energy between DNA and Pt(II) complex was found to be less than that of the Schiff base ligand (L) in the sense that it has higher stability at various stages and angles. The strength of docking between DNA and Pt(II) complex was also found to be that stronger than the Schiff base ligand (L).

Keywords

• bidentate
• binding energy
• docking results
• thiosemicarbazone
• pt(ii) complex