SYNTHESIS, SPECTRAL CHARACTERIZATION AND ENHANCED ANTIBACTERIAL ACTIVITY OF CO(II) ANDCU(II) SCHIFF BASE COMPLEXES: A MOLECULAR DOCKING APPROACH
The novel Schiff base ligand(L) (Z)-4-1-((3-methylpyridine-2-yl) imino) ethyl) Phenol was synthesised using2- amino-3-picoline with p-hydroxy acetophenone. The corresponding coordination metal complexes were made usingthe synthesized ligands. Further, the synthesized ligands and the metal complexes (L-Co(II), L-Cu(II))wereexamined using several analytical techniques like FT-IR, 1H-NMR, UV-Vis spectroscopy, thermogravimetricanalysis (TGA), elemental analysis, molar conductivity, mass spectrometry, and magnetic susceptibilitymeasurements. The structural and electronic properties of the ligands and their complexes were completely analysed, and the geometries of the metal chelate were clarified using magnetic and spectroscopic data. The metal complexesformed exhibited distinct characteristics that indicated their potential value in applications requiring coordinatedmetal-ligand frameworks. In addition, Molecular docking studies have been conducted to see howwell the metal complexes bind to proteins like DNA gyrase and riboflavin biosynthesis. The study shows that the cobalt complexattaches to DNA gyrase with a score of -7.13 kcal/mol whereas the copper complex binds to riboflavin enzyme moreeffectively with a score of -8.59 kcal/mol. These results are promising for using metal complexes to fight microorganisms. This work also helps to develop bioactive coordination compounds and supports SustainableDevelopment Goal 3, which is about having good health and well-being, by looking for effective antimicrobial agents that can help people have good health and well-being. The metal complexes are important for this goal because they can be used to make medicines that are effective against microorganisms.
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