Chemical Synthesis, Spectral Characterization and Biological Investigations of Novel Triazole-Based Schiff Base Ligand and its Transition Complexes

Abstract

The present work describes the synthesis and characterization of a Schiff base 5-((3,4-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (L) derived from 5-amino-4H-1,2, 4-triazole-3-thiol and 3,4-dimethoxy benzaldehyde and its Co(II), Cu(II), Ni(II) and Zn(II) complexes in 2:1 molar ratio (L:M). All the compounds were characterized using mass spectroscopy, 1H NMR, IR spectroscopy, UV-Visible spectroscopy, and TGA. In addition to theses spectral studies, DFT calculations have done. The Schiff base ligand and its complexes were assessed for their in vitro antibacterial activity against nine food pathogens, and their potential activity was qualitatively and quantitatively assessed by the presence/absence for the zone of inhibition and MIC values by taking standard antibiotic amoxicillin as positive control and DMSO as a negative control. The free radical scavenging ability of all the samples was assessed by employing a series of in vitro assays viz., DPPH, ABTS, and Superoxide, whereas BHA was used as a positive control and results were expressed as EC50 values. In vitro α-amylase, inhibitory studies revealed that complexes had effective inhibitory potential than the ligand. The synthesized compounds were virtually sketched, and the Docking operation was performed by using the SERFLEXDOCK program as a part of the SYBYL-X 2.1.1 software package (Tripos, USA).