Synthesis, structural elucidation, in vitro antibacterial activity, DFT calculations, and molecular docking aspects of mixed-ligand complexes of a novel oxime and phenylalanine

Korkmaz, Ünal; Fındık, Bahar Tuba; Dede, Bülent; Karipçin, Fatma

doi:10.1016/j.bioorg.2022.105685

Cited by 7 publications

(2 citation statements)

References 63 publications

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“…Additionally, cobalt(II) complex has the highest absolute softness value (σ, 0.844 eV −1 ), with order of cobalt(II) complex > copper(II) complex > iron(III) complex. So, cobalt(II) complex is the soft one 60 . This trend is similar to the order of Δ E where, the hard molecules possess large energy gap values whereas, the soft molecules possess small energy gap values 61 .…”

Section: Resultsmentioning

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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Section: Resultsmentioning

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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“…Oxime compounds and their derivatives are among the essential ligands of organic chemistry. 65 Because of their excellent capabilities of making complexes with transition metals, they are widely used in coordination chemistry. 66 Vic-dioximes, a class of dioxime ligands, have been extensively studied over the years since Tschugaeff first discovered the nickel complex with dimethylglyoxime.…”

Section: Introductionmentioning

confidence: 99%

High performance supercapacitive behaviors of oximes in a poly(aniline-co-pyrrole) based conducting polymer structure

et al. 2023

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Synthesis, crystal structure, Hirshfeld surface analysis and theoretical studies of an oxime-based ligand: DNA binding and docking studies of its novel Pd(II) complex

Bandyopadhyay,

Mandal,

Haque

et al. 2024

Journal of Molecular Structure

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Synthesis, structural elucidation, in vitro antibacterial activity, DFT calculations, and molecular docking aspects of mixed-ligand complexes of a novel oxime and phenylalanine

Cited by 7 publications

References 63 publications

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

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

High performance supercapacitive behaviors of oximes in a poly(aniline-co-pyrrole) based conducting polymer structure

Synthesis, crystal structure, Hirshfeld surface analysis and theoretical studies of an oxime-based ligand: DNA binding and docking studies of its novel Pd(II) complex

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