Studies on some Anthranilic acid based mixed ligand Metal(II) complexes: Synthesis, characterization, in-vitro biological evaluation, ADMET profiling, DFT and molecular docking

Abstract

Schiff base ligand L has been synthesized using 4-amino antipyrine, Furfuraldehyde, and 2-aminothiazole. This ligand, along with anthranilic acid (AA) and Metal(II) acetates of Co(II), Ni(II), Cu(II), and Zn(II) was used to produce mixed ligand complexes. Characterization of the synthesized compounds was conducted using various analytical and spectral methods including molar conductance, CHN analysis, FTIR, UV-Vis., ¹H NMR, mass,ESR, and XRD. In Vitro,assessments were performed on L and its mixed ligand complexes with AA against several bacterial strains such as P. aeruginosa, E. coli, and S. aureus, together with two fungal species, A. niger and C. albicans. Additionally, the compounds were evaluated for their DNA cleavage and antioxidant potency. The results indicated that [CuL(AA)] exhibits higher biological activity compared to the other metal(II) complexes and L. Furthermore, the biological efficacy of L and its mixed ligand complexes with AA was evaluated using computational techniques, such as DFT as well as pharmacokinetic studies. Both the ligand and metal complexes exhibited notable potency, suggesting their potential as therapeutic agents for the treatment of deformities caused by pathogens.