Synthesis, spectroscopic characterization, and thermal studies of novel Schiff base complexes: theoretical simulation studies on coronavirus (COVID-19) using molecular docking

Novel Schiff base ligand was prepared by the condensation of 2,2-(ethylenedioxy)bis(ethylamine) and imidazole-2-carboxaldehyde in a 1:2 ratio, its complexes with Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Cd(II) metal ions were synthesized 1:1 ratio. Various methods used to identify complexes. Characterization techniques such as infrared, UV, 1H NMR spectral tests, elemental analysis, molar conductivity, magnetic properties, thermal BET surface area, theoretically DFT help further understanding complex structures. For all complexes, behaved neutral tetradentate NOON donor atoms spectroscopic studies indicated an octahedral structure. The electrolytic behavior revealed conductivity measurements. In addition, thermogravimetric analysis investigate decomposition ligand. According results obtained, antibacterial activity is higher than that against one or more bacterial species. showed exhibits enhanced Aspergillus flavus Ni(II) Candida albicans standard drug ketoconazole. Mn(II) had stronger human breast cancer cell line (MCF-7) other Antiviral development critical latest outbreak novel coronavirus (SARS-CoV-2). new screened using molecular docking.