Synthesis and characterization of chromium (III), iron (II), copper (II) complexes of 4-amino-1-(p-sulphophenyl)-3-methyl-5-pyrazolone based acid dyes and their applications on leather

An azo derivative was synthesized by coupling diazotized 2,6-diaminopyridine with p-dimethyl amino benzaldehyde and this new ligand formed a series of metal complexes with Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) salts. These complexes were characterized on the basis of elemental analyses, molar conductance, infrared spectroscopy, UV-Vis, 1 H NMR, mass spectrometry, electronic spectra, magnetic susceptibility and ESR spectral studies, conductivity measurements, thermogravimetric analyses (TG-DTG). The molecular and electronic structure of the azo ligand was optimized theoretically and the quantum chemical parameters were calculated. The ligand and its metal complexes were subjected to X-ray powder diffraction study. The thermal stability of the ligand and its metal complexes was examined by thermogravimetry. The ligand and its complexes were tested for their in vitro antimicrobial activity, some of the complexes showed good antimicrobial activities against some selected bacterial and fungal strains. Anticancer activity of the ligand and its metal complexes are evaluated against human cancer (MCF-7 cells viability). Molecular docking was used to predict the binding between azo ligand and the receptors of nucleoside diphosphate kinase of Staphylococcus aureus (3Q8U) and (3HB5) which is breast cancer mutant oxidoreductase. The docking study provided useful structural information for inhibition studies.

Section: Introductionmentioning

confidence: 99%

Azo dye with nitrogen donor sets of atoms and its metal complexes: Synthesis, characterization, DFT, biological, anticancer and Molecular docking studies

Mahmoud

Sayed

2018

“…Many of the azodye transition metal complexes are being used lately as models for different biological applications such as anticancer, antioxidant and antimicrobial activities 6–13 . These complexes possess many interesting properties, e.g., in analytical technique, 14–16 in catalysis, 17–19 dyeing 20 and in electrochemistry 21, 22 . Transition metalchemistry is better drug design methods.…”

Section: Introductionmentioning

confidence: 99%

New Zn (II) and Cd (II) complexes of 2,4‐dihydroxy‐5‐[(5‐mercapto‐1H‐1,2,4‐triazole‐3‐yl)diazenyl]benzaldehyde: Synthesis, structural characterization, molecular modeling and docking studies, DNA binding and biological activity

Atlam

Awad

Gaber

et al. 2020

The molecular structures of the so‐called azo dye and its Zn (II) and Cd (II) complexes were predicted in the present manuscript: 2,4‐dihydroxy‐5‐[(5‐mercapto‐1H‐1,2,4‐triazole‐3‐yl) diazenyl] benzaldehyde(H2L). The analyses elemental and thermal, spectra (FT‐IR, MS, UV–Vis), DFT/B3LYP/GENECP at which 6‐31G** basis set is used for C, H, N, O and S and LANL2DZ for Cd and Zncalculations and conductivity, the structures of these newly synthesized complexes were allocated. The small conductivity values exposed the non‐electrolytic nature. TGA curves used Coats‐Redfern to calculate the activation parameters for the thermal decomposition phases. The interaction between calf thymus DNA and investigated compounds was explored through UV–visible measurements of absorption and viscosity. The findings stated that through intercalative binding mode, the complexes communicate with DNA by calculating the constants of binding. In addition, the antimicrobial activity for the ligand and complexes in vitro were tested. The calculations demonstrate that the investigated complexes have octahedral geometry which agrees with the experimental observations. Molecular docking simulation was conducted using molecular operator environment (MOE) for ligand (H2L), Zn (II) and Cd (II) complexes. The docking calculations verified that the Zn (II)‐complex has greater potency and affinity to the (GLUT1) protein than those of the ligand and Cd (II)‐complex, which is inconsistent with the experimental activity. Finally, quantum mechanical and molecular docking are effective methods to better describe the studied molecules ‘biological activity.

“…Luminescent transition metal complexes have been used as molecular probes, in remote sensor technology, for the measurement of the toxicity of surface waters, soils, plants, in antibacterial materials, as antioxidants and as antituberculosis agents . These metal complexes show widespread dyeing characteristics, are used for photoelectronics and as sensitizers in photocatalytic reactions as well as in optical information storage, the pharmacological and biological fields, industry, photo‐catalytic reactions and DNA binding studies . The binding of the metal complexes with DNA has received attention in the chemical and biological fields .…”

Section: Introductionmentioning

confidence: 99%

Fluorescent UO₂(II) and ZrO(II) complexes: Synthesis, structural characterization, fluorescence, DNA binding studies and biological applications in cell probing

El‐Aziz

El-Wakiel

Gaber

2019

Highlights• New fluorescent UO 2 (II) and ZrO(II) azo-complexes have been synthesized and characterized.• The complexes were tested as cell staining and imaging under fluorescent microscope.• The binding constant (Kb) with DNA has been calculated using UV-vis absorption titration and fluorescence spectral methods.• New ZrO(II) azo-complexe based on 5-nitro-8-hydroxyquinoline can be effectively used as fluorescent probes in studying cell biology.