A New Organophosphorus Schiff Base-Titanium(IV) Complex: Synthesis, Structural Insights (XRD/Docking), and Antibacterial Activity

Schiff base 2,2-((ethane-1,2-diylbis-(azaneylylidene))-bis (methaneylylidene)) diphenol and diphenylchlorophosphate in acetonitrile were combined to prepare a novel Organophosphorus Schiff base ((ethane-1,2-diylbis-(azaneylylidene))-bis-(methaneylylidene))-bis-(2,1-phenylene) (tetraphenyl bis (phosphate) (EAMDPP). Next, the ligand OPSB and Ti (IV) chloride underwent a 1:1 molar ratio (metal: ligand) reaction. By using elemental analysis, IR, UV-vis, ¹H NMR, ¹³C NMR, and XRD, the synthesized ligand was characterized. Conductance measurement, elemental analysis, spectrum analysis (FT-IR and UV-vis spectroscopy), and XRD were used to establish the Ti (IV) complex. Using molecular operating environment software, the molecular docking of EAMDPP and [Ti-(EAMDPP)-Cl4] is explored to understand the compounds' binding patterns to target proteins <i>Staphylococcus aureus</i> (PDB ID: 4URM), <i>Streptococcus pyogenes</i> (PDB ID: 5XYR), and <i>Escherichia coli</i> (PDB ID: 4PRV). Regarding the antibacterial activity, the inhibition values of the ligand and its complex varied, with the highest inhibition value observed against <i>E. coli</i> at a concentration of 300 μg/mL for both the ligand and its complex with titanium.