Synthesis, Characterization And In-Silico Study Of Mn (Ii) And Zn (Ii) Nano-Sized Complexes Of Metronidazole Synthesized Via Sonication Method

Abstract

This study reports the sonochemical synthesis, physicochemical characterization, and in-silico evaluation of Mn (II) and Zn (II) nano-sized complexes of metronidazole (MTZ), a known oral antibiotic drug. The complexes were synthesized using sonication mechanism and characterized using UV–Vis, FT-IR, XRD, TEM, and NMR techniques. Notable and distinct changes in colour, melting point, solubility, and spectral characteristics confirmed a successful coordination of MTZ to Mn (II) and Zn (II) ions. XRD analysis of the compounds revealed nanocrystalline phases measuring 26–83 nm, while TEM images showed particle sizes within 2.22–10.80 nm, confirming nanoscale formation. NMR spectra indicated the metal coordination through the imidazole nitrogen and, in the case of Mn (II), partial involvement of the hydroxyl oxygen. ADMET and toxicity predictions using SwissADME and ProTox-II showed high gastrointestinal absorption, good solubility, high bioavailability scores, and toxicity class IV for all compounds. These findings support the potential of Mn (II)–MTZ and Zn (II)–MTZ nanocomplexes as promising candidates for drug design and antimicrobial applications.