Design, spectral characterization, quantum chemical investigation, biological activity of nano-sized transition metal complexes of tridentate 3-mercapto-4H-1,2,4-triazol-4-yl-aminomethylphenol Schiff base ligand

J Biomol Struct Dyn. 2023 Dec 22:1-21. doi: 10.1080/07391102.2023.2294171. Online ahead of print.

Abstract

A tridentate Schiff base ligand, H2MTIP, was produced by condensing salicylaldehyde with 4-amino-4H-1,2,4-triazole-3-thiol. The ligand was then used to create nanosized complexes of Pt(II), Ni(II), Cu(II), and Pd(II). The complexes have the composition [Pt/Ni/Cu/or Pd(MTIP)(H2O)], this conclusion is supported by molar conductance, magnetic moments, elemental analyses, spectral analyses. In DFT analysis, the 6-31+ g(d,p) basis set was used to fully optimize the energy with respect to the shapes of Schiff base ligand and metal complexes. Pt(II), Ni(II), Cu(II), and Pd(II) complexes have been assigned square-planar geometries. At the same time, the intense diffraction peaks in X-ray diffractograms show their crystalline features with particle sizes in the nanoscale range. The binding interaction of calf thymus DNA with these metal complexes and their insulin-like activity was examined in vitro by inhibiting α-amylase. The study investigated the in-vitro activity of several complexes and identified Pt(II) complex as the one with the highest activity. The researchers then tested this complex for in-vivo antidiabetic activity in induced diabetic rats using the STZ model, and it significantly lowered blood glucose levels. The antioxidant activity and toxicity level of Pt(II) complex were also excellent, suggesting that it could be a good candidate for further research as a possible diabetes drug.Communicated by Ramaswamy H. Sarma.

Keywords: DFT; Nano complexes; Schiff base; XRD; antioxidant; spectral.

Publication types

  • Review