Complex formation equilibria, DFT, docking, antioxidant and antimicrobial studies of iron(III) complexes involving Schiff bases derived from glucosamine or ethanolamine

Khalf‐Alla, Perihan A.; Hassan, Safaa S.; Shoukry, Mohamed M.

doi:10.1016/j.ica.2019.04.035

Cited by 14 publications

(5 citation statements)

References 41 publications

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“…Furthermore, following irradiation, complexes demonstrated enhanced efficacy as antibacterial and antifungal agents, surpassing their preirradiation performance (Aly and Elembaby, 2020a;Abdalla et al, 2021). The increased activity of complexes may be elucidated by Overtone's notion (Anjaneyulu and Rao, 1986), as evidenced in our prior studies (Khalf-Alla et al, 2019;Hassan and Khalf-Alla, 2020;Hassan and Mohamed, 2020). The reduction in polarity of the metal ion occurred as a result of chelation, due to the interaction between its partial positive charge and the donation sites of the coordinated ligand.…”

Section: Antimicrobial Studymentioning

confidence: 81%

Synthesis, characterization, PXRD studies, and theoretical calculation of the effect of gamma irradiation and antimicrobial studies on novel Pd(II), Cu(II), and Cu(I) complexes

Hassan,

Aly,

Al-Sulami

et al. 2024

Front. Chem.

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The main objective of this study is to synthesize and characterize of a new three complexes of Pd (II), Cu (II), and Cu (I) metal ions with novel ligand ((Z)-2-(phenylamino)-N'-(thiophen-2-ylmethylene)acetohydrazide) H2LB. The structural composition of new compounds was assessed using several analytical techniques including FT-IR, 1H-NMR, electronic spectra, powder X-ray diffraction, and thermal behavior analysis. The Gaussian09 program employed the Density Functional Theory (DFT) approach to optimize the geometry of all synthesized compounds, therefore obtaining the most favorable structures and crucial parameters. An investigation was conducted to examine the impact of γ-irradiation on ligands and complexes. Before and after γ-irradiation, the antimicrobial efficiency was investigated for the activity of ligands and their chelates. The Cu(I) complex demonstrated enhanced antibacterial activity after irradiation, as well as other standard medications such as ampicillin and gentamicin. Similarly, the Cu(I) complex exhibited superior activity against antifungal species relative to the standard drug Nystatin. The docking investigation utilized the target location of the topoisomerase enzyme (2xct) chain A.

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Section: Antimicrobial Studymentioning

confidence: 81%

Synthesis, characterization, PXRD studies, and theoretical calculation of the effect of gamma irradiation and antimicrobial studies on novel Pd(II), Cu(II), and Cu(I) complexes

Hassan,

Aly,

Al-Sulami

et al. 2024

Front. Chem.

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“…Density functional theory (DFT) optimization geometry and frontier molecular orbitals of the complexes were calculated using Gaussian 09 software package. B3LYP functional was used with 6-311G++ (d,p) basis set for C, H, N, O, Cl and LANL2DZ for complexes in gas phase 18 .…”

Section: Methodsmentioning

confidence: 99%

Synthesis, structural characterization, and antimicrobial evaluation of new mononuclear mixed ligand complexes based on furfural-type imine ligand, and 2,2′-bipyridine

Ismail

El–Wahab

Ali

et al. 2023

Sci Rep

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The present investigation goal was to investigate the chemistry of four new mononuclear mixed ligand Fe(III), Co(II), Cu(II), and Cd(II) complexes constructed from furfural-type imine ligand (L), and the co ligand 2,2′-bipyridine in addition to assessing their antimicrobial activity against some bacterial, and fungi strains. The structure of the complexes was interpreted by different spectroscopic techniques such as MS, IR, 1H NMR, UV–Vis, elemental analysis, TG-DTG, conductivity, and magnetic susceptibility measurements. The correlation of all results revealed that ligand (L) acts as a neutral ONNO tetradentate whereas the co ligand acts as a neutral NN bidentate. The coordination of the ligands with the metal ions in a molar ratio of 1:1:1 leads to formation of an octahedral geometry around the metal ions. The octahedral geometry has been validated and optimized by DFT analysis. Conductivity data showed the electrolytic nature of all complexes. The thermal stability of all complexes was deduced in addition to evaluating some thermodynamic, and kinetic parameters using Coats–Redfern method. Furthermore, all complexes in comparison to their parent ligands were tested for their biological potency against some pathogenic bacterial, and fungi strains using the paper disk diffusion method. [CdL(bpy)](NO3)2 complex revealed the highest antimicrobial activity.

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“…With glucosamine and ethanolamine, DAP also may give adducts. The reaction is Fe(III)-templated [116]. The authors give data about the antibacterial and radical scavenging activity of the compounds.…”

Section: Coordination Modes Of Hydrazone-type Schiff Bases Of Dap -Pe...mentioning

confidence: 99%

Some Aromatic Schiff Bases and Their Metal Complexes

Radanović¹,

Holló²

2023

Schiff Base in Organic, Inorganic and Physical Chemistry

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Schiff bases represent a widely studied group of compounds, interesting from the synthetic and structural, but also applicational point of view. Among these, aromatic Schiff bases stand out due to their stability and possible application as safer therapeutic agents. Since the presence of the phenolic group and the heteroatom in the benzene ring seems to be of interest for the biological activity of Schiff bases, imine derivatives of some dihydroxybenzaldehydes, 2-acetylpyridine, and 2,6-diacetylpyridine are chosen to be described here. The syntheses, structural features, as well as investigations of possible application of Schiff bases themselves, but also their metal complexes are described. The Cambridge Structural Database has been searched to obtain a better knowledge of the structures of these Schiff bases and their metal complexes, structural changes upon coordination, and the most common and interesting modes of coordination. The main accent is given to those compounds that are promising candidates for medicinal and pharmaceutical use, but some of the described complexes are good as catalysts, optical materials, sensors, analytical reagents, etc.

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Complex formation equilibria, DFT, docking, antioxidant and antimicrobial studies of iron(III) complexes involving Schiff bases derived from glucosamine or ethanolamine

Cited by 14 publications

References 41 publications

Synthesis, characterization, PXRD studies, and theoretical calculation of the effect of gamma irradiation and antimicrobial studies on novel Pd(II), Cu(II), and Cu(I) complexes

Synthesis, characterization, PXRD studies, and theoretical calculation of the effect of gamma irradiation and antimicrobial studies on novel Pd(II), Cu(II), and Cu(I) complexes

Synthesis, structural characterization, and antimicrobial evaluation of new mononuclear mixed ligand complexes based on furfural-type imine ligand, and 2,2′-bipyridine

Some Aromatic Schiff Bases and Their Metal Complexes

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