Design and Synthesis of Pyridine Bis-Hydrazone Metal Complexes of Co(II), Cu(II), and Hg(II): Spectral, Gaussian, Electrochemical, Biological, Drug-Likeness and Molecular Docking Investigations

Gomaa, Afnan I.; Gomaa, Esam A.; Zaky, Rania R.; Abd El-Hady, Mahmoud N.

doi:10.1016/j.inoche.2024.112188

Inorganic Chemistry Communications

2024

DOI: 10.1016/j.inoche.2024.112188

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Design and Synthesis of Pyridine Bis-Hydrazone Metal Complexes of Co(II), Cu(II), and Hg(II): Spectral, Gaussian, Electrochemical, Biological, Drug-Likeness and Molecular Docking Investigations

Afnan I. Gomaa,

Esam A. Gomaa,

Rania R. Zaky

et al.

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2024

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Cited by 6 publications

References 53 publications

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New Metal Complexes Incorporating Schiff Base Ligand Based on Pyridine Moiety: Synthesis, Spectral Characterization, DFT, Biological Evaluation, and Molecular Docking

Salah,

Adly,

Ibrahim

et al. 2024

Applied Organom Chemis

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A new Schiff base ligand, HNMPC, was prepared and reacted with some metal ions, including Cu(II), Ni(II), Co(II), Mn(II), and VO(IV). The infrared, electronic, mass, electron spin resonance, nuclear magnetic resonance, thermal and elemental analysis, molar conductance, and magnetic susceptibility measurements were used to characterize the metal complexes. The HNMPC ligand acts as a monoanionic tridentate ONO donor in all complexes, and the coordinating sites are C=Opyridone, C=N, and the phenolate anion. All metal complexes exhibit octahedral configurations, and the results showed that the metal ion:ligand ratio was 1:2. The molecular structural parameters of the ligand and its metal complexes were determined based on the DFT level implemented in the Gaussian 09 program B3LYP/GENECP method at the 6‐311G(d,p) basis set for C, H, N, and O atoms and the SDD (Stuttgart/Dresden) basis set for the metal atoms. The theoretical data were correlated with the experimental results. Gram‐positive bacteria, Gram‐negative bacteria, yeast, and fungi were used to test the current compounds' antimicrobial activity. Investigating the antitumor activity of the ligand and its complexes against the HepG2 cell lines showed encouraging IC50 values that were on par with those of cisplatin. In order to determine the affinity and binding pattern for the synthesized compounds toward the VEGFR‐2 active site, molecular docking studies were conducted, and the results were correlated with antitumor data. Based on the obtained results, future work aimed to synthesize a new category of Schiff bases and their metal complexes derived from the current aminopyridine derivative with diverse aldehydes and ketones.

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New Metal Complexes Incorporating Schiff Base Ligand Based on Pyridine Moiety: Synthesis, Spectral Characterization, DFT, Biological Evaluation, and Molecular Docking

Salah,

Adly,

Ibrahim

et al. 2024

Applied Organom Chemis

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Synthesis, Characterization, Biological Potency, and Molecular Docking of Co²⁺, Ni²⁺, and Pd²⁺ Complexes Derived From Carbohydrazone Ligand and Its Application in Dye Removal

El‐Helw,

El‐Ayaan,

Abou El‐Reash

et al. 2024

Applied Organom Chemis

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As a result of the Schiff base condensation reaction between carbohydrazide and 4‐aminoacetophenone, novel HL ligand [(Z)‐N′‐((Z)‐1‐(4‐aminophenyl)ethylidene)‐2‐(1‐(4‐aminophenyl)ethylidene)hydrazine‐1‐carbohydrazide] and three coordination compounds were successfully obtained with the formulas of [Co2(L)(Cl)3(H2O)].Cl, [Ni2(L)(Cl)2(H2O)2].Cl.H2O, and [Pd (HL)(Cl)(H2O)].Cl, the obtained structures were analyzed using analytical and spectroscopic techniques such as Fourier‐transform infrared (FT‐IR), NMR, UV–Vis, molar conductivity, elemental analysis, and magnetic susceptibility measurements. Additionally, thermal stabilities, kinetic, and thermodynamic parameters were estimated utilizing thermogravimetric analysis. The structures were confirmed through quantum chemical computations. The antioxidant, anticancer, and antimicrobial biological efficacies of the ligand and its metal chelates were assessed. The ligand shows optimistic results as an antioxidant, while Co2+ and Pd2+ complexes showed the highest antimicrobial activities. The DNA binding affinity and cleavage of the isolated compounds were evaluated. Furthermore, the fluorescence spectrum of ligand in the absence and presence of Co2+ was recorded in order to investigate the interaction affinity along with the limit of detection. Another application of this work is the removal of methylene blue and crystal violet dyes from wastewater and reusability, through an inventive synthesis of a cellulose‐based material “LDC” Schiff base.

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New chelating quinoxalyl hydrazone derivative, as tridentate ligand for complexation with Co(II), Ni(II), and Cu(II) ions. Development of antitumor, antimicrobial, and DNA reactivity

Shaker S. Adam,

Abdelmageed Abualreish,

Negm

et al. 2024

Inorganic Chemistry Communications

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Design and Synthesis of Pyridine Bis-Hydrazone Metal Complexes of Co(II), Cu(II), and Hg(II): Spectral, Gaussian, Electrochemical, Biological, Drug-Likeness and Molecular Docking Investigations

Cited by 6 publications

References 53 publications

New Metal Complexes Incorporating Schiff Base Ligand Based on Pyridine Moiety: Synthesis, Spectral Characterization, DFT, Biological Evaluation, and Molecular Docking

New Metal Complexes Incorporating Schiff Base Ligand Based on Pyridine Moiety: Synthesis, Spectral Characterization, DFT, Biological Evaluation, and Molecular Docking

Synthesis, Characterization, Biological Potency, and Molecular Docking of Co²⁺, Ni²⁺, and Pd²⁺ Complexes Derived From Carbohydrazone Ligand and Its Application in Dye Removal

New chelating quinoxalyl hydrazone derivative, as tridentate ligand for complexation with Co(II), Ni(II), and Cu(II) ions. Development of antitumor, antimicrobial, and DNA reactivity

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Design and Synthesis of Pyridine Bis-Hydrazone Metal Complexes of Co(II), Cu(II), and Hg(II): Spectral, Gaussian, Electrochemical, Biological, Drug-Likeness and Molecular Docking Investigations

Cited by 6 publications

References 53 publications

New Metal Complexes Incorporating Schiff Base Ligand Based on Pyridine Moiety: Synthesis, Spectral Characterization, DFT, Biological Evaluation, and Molecular Docking

New Metal Complexes Incorporating Schiff Base Ligand Based on Pyridine Moiety: Synthesis, Spectral Characterization, DFT, Biological Evaluation, and Molecular Docking

Synthesis, Characterization, Biological Potency, and Molecular Docking of Co2+, Ni2+, and Pd2+ Complexes Derived From Carbohydrazone Ligand and Its Application in Dye Removal

New chelating quinoxalyl hydrazone derivative, as tridentate ligand for complexation with Co(II), Ni(II), and Cu(II) ions. Development of antitumor, antimicrobial, and DNA reactivity

Contact Info

Product

Resources

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Synthesis, Characterization, Biological Potency, and Molecular Docking of Co²⁺, Ni²⁺, and Pd²⁺ Complexes Derived From Carbohydrazone Ligand and Its Application in Dye Removal