Transition metal complexes of nano bidentate organometallic Schiff base: Preparation, structure characterization, biological activity, DFT and molecular docking studies

Theoretical electronic absorption transitions for Schiff base ligand (HL) in ethanol solvent. An organometallic NO ‐bidentate Schiff base, (2‐(1‐((1‐carboxyethyl)imino)ethyl) cyclopenta‐2,4‐dien‐1‐yl)(cyclopenta‐2,4‐dien‐1‐yl) iron (HL) was synthesized by condensation of 2‐acetylferrocene with amino acid alanine. Then its octahedral Cr (III), Mn (II), Fe (III), Co (II), Ni (II), Cu (II) , Zn (II) and Cd (II) complexes were synthesized. All compounds were characterized on the basis of elemental analysis (C, H, N and M), molar conductivity, FT‐IR, UV–Vis,1H ‐NMR, SEM, mass analysis and thermal studies. Furthermore, computational studies of HL ligand have been carried out by DFT/B3LYP method. HOMO and LUMO energy values, chemical hardness‐softness, electronegativity, electrophilic index and other parameters were calculated. SEM micrographs of HL lig and and its [Cd (HL)(H2O)2Cl2].2H2O complex, showed that they were prepared in nano ‐structure forms with particle size 54 and 41 nm, respectively. Antifungal and antibacterial activities of HL ligand and its metal complexes have been screened in vitro against different species such asAspergillus fumigatus,Candida albicans, Bacillus subtilis,Staphylococcus aureus,Escherichia coli andSalmonella typhimurium. The synthesized compounds were evaluated for their anticancer activities against breast cancer cell line (MCF ‐7) and normal melanocytes cell line (HFB‐4). It was found that [Co (HL)(H2O)2Cl...
Source: Applied Organometallic Chemistry - Category: Chemistry Authors: Tags: FULL PAPER Source Type: research