Synthesis, characterization, spectroscopic and theoretical studies of transition metal complexes of new nano Schiff base derived from l‐histidine and 2‐acetylferrocene and evaluation of biological and anticancer activities

Abstract

A new Schiff base derived from the condensation of 2‐acetylferrocene with l‐histidine was prepared and characterized using elemental analyses and spectroscopic methods. Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes of the Schiff base were prepared and characterized using various physicochemical methods such as elemental analysis, Fourier transform infrared and UV–visible spectroscopies, molar conductance, thermal analysis and scanning electron microscopy (SEM). Both ligand and complexes were investigated for their biological and anticancer activities. The elemental analyses showed that complexes were formed in a metal‐to‐ligand ratio of 1:1 stoichiometry. The spectral analyses proved that the ligand was tridentate and all complexes had an octahedral geometry, except the Zn(II) complex that was tetrahedral. SEM showed that the ligand and its Cd(II) complex were of nanometric structure. The molecular and electronic structure of the free ligand was optimized theoretically and the quantum chemical parameters were calculated. The molecular structure can be used to investigate the coordination sites and the total charge density around each atom. According to anticancer studies, Cd(II) complex was recommended to be used as anti‐breast cancer drug as it had very low IC50 (3.5 μg ml−1). Molecular docking was used to predict the binding between the free ligand and its Cd(II) complex and crystal structure of Staphylococcus aureus (PDB ID: 3Q8u), receptors of breast cancer mutant oxidoreductase (PDB ID: 3Hb5) and crystal structure of Escherichia coli (PDB ID: 3 T88) and to identify the binding mode and the crucial functional groups interacting with the three proteins.

Synthesis, Characterization and Spectral Studies of Some Metal Ions Complexes with New Schiff Base Ligand Derived From 6- Amino Penicillanic Acid And Biological Screening Study For The Pt(II) Complex.

“…Their relevant data shown in Table .3 The new Schiff base ligand shows two charge transfer (C.T) absorption bands in the region Uv-Visible at (274) nm (36496) cm -1 consigned to (π→π*), and (332) nm (30120) cm -1 that has been allocated to(n→π*). In the metal complexes, these absorption bands undergo of charge transfer (LM-CT) transition in the complexes indicating that the Schiff base ligand are coordinated to the metal ions [15,16], suggesting an octahedral geometry around metal(II) in the complexes [17,18], except the Pt(II) complex, which had square planar geometry [19,20]. The UV-Vis spectra of the new Schiff base ligand and Cu(II) complex are shown in (Figure 3).…”

Synthesis, Characterization, DFT Studies, Biological Investigation and Molecular Modelling of Novel 1-(5-(1H-imidazol-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl)- 3-amino-2-cyano-N-phenyl-1H-benzo[f]chromene-5-carboxamide Derivatives

“…In addition, a number of other pharmacologically active scaffolds like imidazole are also known to be of importance due to their extensive biological activities and application in drug designing. Imidazole and their derivatives also possess pharmacological activities like anti-convulsant [20], anticancer [21], antitubercular [22], antiinflammatory [23] and antimicro-bial [24]. Both imidazole and pyrazole rings have been a part of a number of drugs in clinical use.…”

Synthesis and Characterization of ZnO Nanoparticles via Thermal Decomposition for Zn(II) Schiff Base Complex

“…Schiff bases are compounds that contain the azomethine group (C=N) in their structure and are often formed via the reaction of primary amines and carbonyl groups Schiff bases are a type of ligand; these ligands, as well as their metal complexes, are important [1][2] because of their capacity to stabilize metal ions in a variety of oxidation states, as well as their use in a variety of catalytic and industrial applications [3]. Because of their unique topologies, structural lability, and sensitivity to molecular environments as a functional material, metal complexes with oxygen and nitrogen donor Schiff bases are of special interest [4].…”