• S. PRAVEEN
• K. GEETHA

The growth of Schiff base-centered medicinal chemistry, together with the usage of less costly transition metals having strong pharmacological activity, has sparked a lot of interest in the creation of new Schiff base ligands. A new pentadentate Schiff base ligand 2,6-bis((E)-(2-amino-4-methylphenylimino)methyl)-4-methoxyphenol (L1) was synthesized from 4-methyl-orthophenlylenediamine and 2,6-diformyl-4-methoxyphenol. Two distinct Cu(II) Complexes (C1 & C2) were prepared using this ligand and various cu(II) precursor with different organic acids. The structure of the obtained Schiff base ligand (L1) and Copper(II) complexes (C1 & C2) is clarified using a variety of analytical techniques, including electronic spectroscopy, Fourier transform infrared spectroscopy, 1H NMR, 13C NMR spectroscopy, mass spectrometry, conductivity and magnetic susceptibility studies, which demonstrated the pentadentate chelation of the ligand. Extensive physical and theoretical investigations of the ligand (L1) were performed, and the results were compatible with the expected compositions. The electrostatic potential surface was mapped with different parameters, the HOMO-LUMO band gaps and Mulliken charges were determined. The results of the experiments and the theoretical DFT analysis coincide well. In addition, the binding interaction between the human estrogen receptor and the breast cancer-induced protein (PDB:3ERT) was examined in a molecular docking study of the Schiff base ligand (L1) and their Cu(II) complex (C1).

Schiff base ligand, DFT, HOMO – LUMO and Molecular Docking

"DINUCLEAR COPPER(II) COMPLEXES WITH PENTADENTATE SCHIFF BASE LIGAND – SYNTHESIS, CHARACTERIZATION AND THEORETICAL EVALUATIONS", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.10, Issue 11, page no.c326-c340, November-2023, Available :http://www.jetir.org/papers/JETIR2311246.pdf

"DINUCLEAR COPPER(II) COMPLEXES WITH PENTADENTATE SCHIFF BASE LIGAND – SYNTHESIS, CHARACTERIZATION AND THEORETICAL EVALUATIONS", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.10, Issue 11, page no. ppc326-c340, November-2023, Available at : http://www.jetir.org/papers/JETIR2311246.pdf