Some novel
imine metal chelates with Cr3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, and Cd2+
cations were produced from 2-acetylferrocene and
3-aminophenol. The new
acetylferrocene azomethine ligand ((Z)-cyclopenta-1,3-dien-1-yl(2-(1-((3-hydroxyphenyl)imino)ethyl)cyclopenta-2,4-dien-1-yl)iron) and its
metal ion chelates were constructed and elucidated using FT-IR, UV/Vis, 1HNMR, DTA/TGA, CHNClM studies, mass spectrometry and SEM analysis. According to the TGA/DTG investigation, the
ferrocene moiety spontaneously disintegrates to liberate FeO. The morphology of the free
acetylferrocene azomethine via SEM analysis was net-shaped with a size of 64.73 nm, which differed in Cd(II) complex to be a spongy shape with a size of 42.43 nm. The quantum chemical features of the
azomethine ligand (HL) were computed, and its electronic and molecular structure was refined theoretically. The investigated
acetylferrocene imine ligand behaves as bidinetate
ligand towards the
cations under study to form octahedral geometries in case of all complexes except in case of Zn2+ is tetrahedral. Various microorganisms were used to investigate the anti-pathogenic effects of the free
acetylferrocene azomethine ligand and its
metal chelates. Moreover, the prepared
ligand and its
metal complexes were tested for anticancer activity utilizing four different concentrations against the human
breast cancer cell line (MCF7) and the normal melanocyte cell line (HBF4). Furthermore, the binding of
3-aminophenol, 2-acetylferrocene, HL, Mn2+, Cu2+, and Cd2+
metal chelates to the receptor of
breast cancer mutant
oxidoreductase was discovered using molecular docking (PDB ID: 3HB5).