3d-Transition Metal Complexes of a Tridentate Ligand: Synthesis, Characterization, Physico-Chemical Studies, Antimicrobial Activity, In Silico Molecular Docking and ADME Studies

BackgroundThis research focused on the synthesis and antimicrobial evaluation of metal complexes derived from a Schiff base ligand, which feature an imine group formed through the reaction of primary amines with carbonyl compounds, were studied. The objective was to explore the antimicrobial potential of these compounds and analyse their structural characteristics to contribute to advancements in pharmaceutical applications.MethodNovel Schiff's base ligand (E)-2-methoxy-6-(((7-methylbenzo[d]thiazol-2-yl)imino)methyl)phenol (L) was synthesized by condensation reaction of ortho-Vanillin with 2-amino-4-methylbenzothiazole in 1:1 ratio. Mn(II), Co(II), Cu(II), Ni(II), and Zn(II) complexes (M1-M5) of L were also synthesized using the same method.ResultsThe synthesized compound were analysed using several spectroscopic techniques i.e., FT-IR, 1H-NMR, UV-Visible, and Mass spectroscopy. FT-IR analysis described the tridentate nature of L and coordination of N,N,O atom of L to the metal ions. Spectroscopic analysis confirmed the octahedral structure of M1-M5 complexes.ConclusionAll the newly synthesized compounds were assessed for their antimicrobial activity against two bacterial strains and three fungal strains. Complex M4 has enhanced antibacterial potential than other complexes, whereas complex M2 possessed higher antifungal activity (with lowest MIC values) than other complexes. Adsorption dissociation metabolism and excretion (ADME) studies predicted the probability of drug-like properties for the compounds, while molecular docking analyses investigated how the compounds interacted with proteins found in bacteria and fungi.