Synthesis, characterization, and in silico molecular docking study of bidentate hydroxy α-aminophosphonates derivative and its Mn(II), Fe(III) and Zn(II) metal complexes as potent antioxidant and antibacterial agents

Abstract

A bidentate hydroxy α-aminophosphonates ligand, diethyl-(2-hydroxyphenyl) (phenylamino)methylphosphonate and its Mn(II), Fe(III), and Zn(II) metal complexes were prepared in the molar ratio of 2:1 and characterized by spectral, thermal, analytical and physicochemical methods including UV–Vis, FT-IR, molar conductance, AAS, elemental analysis, 1H NMR and PXRD. Thermogravimetric analysis (TG/DTG) was done to investigate the thermal decomposition/mass loss behavior of the metal complexes. Antibacterial activity was checked against 2 g-positive (B. subtilis and S. aureus) and 2 g-negative (S. typhi and E. coli) bacteria with different concentrations of compounds (250–1000 μg/ml), where Amikacin was used as a standard. The antioxidant capacity of prepared compounds was checked against DPPH and FRAP assay, where BHT was used as standard. In-silico molecular docking was also studied by Autodock 4.2 software for all compounds with S. typhi cell membrane protein OmpF complex (PDB ID- 4KR4) in which good interaction was observed for all the docked compounds.