Synthesis, spectroscopic characterization, density functional theory study, antimicrobial and antioxidant activities of curcumin and alanine-curcumin Schiff base

Layaida, Houdheifa; Hellal, Abdelkader; Chafai, Nadjib; Haddadi, Ines; Imene, Kirouani; Anis, BOUCHAMA; Elkolli, Mouna; Bensouici, Chawki; Sobhi, Widad; Attoui, Ayoub; Adjissi, Lilia

doi:10.1080/07391102.2022.2123043

Cited by 4 publications

(3 citation statements)

References 81 publications

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“…53 Frontier molecular orbital (FMO) analysis FMO investigation is helpful in understanding the intramolecular charge transfer (ICT) and optoelectronic characteristics of compounds via assessing the electronic charge transition between the HOMO and LUMO. [54][55][56][57][58][59][60][61][62][63] Band theory describes the HOMO and LUMO as conduction and valence bands, accordingly, and the energy gap between orbitals is described as the band gap (DE). 64,65 The efficiency of OSCs can be elucidated with the help of E gap as a photovoltaic material having a smaller energy gap will have a high power conversion efficiency (PCE).…”

Section: Computational Proceduresmentioning

confidence: 99%

Synthesis, characterization and exploration of photovoltaic behavior of hydrazide based scaffolds: a concise experimental and DFT study

et al. 2023

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Section: Computational Proceduresmentioning

confidence: 99%

Synthesis, characterization and exploration of photovoltaic behavior of hydrazide based scaffolds: a concise experimental and DFT study

et al. 2023

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“…Schiff base derivatives 6 have been extensively investigated and have demonstrated enhanced antibacterial, 7 antifungal, and antioxidant activities. 8 These modifications and advancements aim to improve the overall efficacy and therapeutic potential of curcumin for various applications.…”

Section: Introductionmentioning

confidence: 99%

“…To resolve these problems, researchers have explored various strategies, including structural modifications, synthesis of derivative compounds, and development of smart drug delivery systems. Schiff base derivatives 6 have been extensively investigated and have demonstrated enhanced antibacterial, 7 antifungal, and antioxidant activities 8 . These modifications and advancements aim to improve the overall efficacy and therapeutic potential of curcumin for various applications.…”

Section: Introductionmentioning

confidence: 99%

Coordinated metal complexes with curcumin Schiff base: Synthesis, investigation, antibacterial screening, antioxidant studies, molecular docking and density function theory calculations

Deghadi,

Elgendi,

Omar

et al. 2024

Applied Organom Chemis

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Condensation of curcumin with furfuryl amine led to the synthesis of H2L Schiff base in a 1:1 Molar ratio. Subsequently, complexes of this Schiff base with several transition metal ions were prepared also in one‐to‐one molar ratio. Multiple characterization techniques were employed to identify the structure of all compounds. Infrared, UV, proton magnetic resonance spectroscopic tests, elemental analysis, mass spectrometry, thermal analysis, molar conductivity, and density function theory (DFT) calculations were utilized to gain a comprehensive understanding of their structures. Except for the nickel (II) complex, which exhibits non‐electrolyte behavior, all complexes were found to exhibit electrolytic behavior based on molar conductivity studies. Additionally, thermogravimetric analysis was employed to learn more about the complexes' thermal breakdown and the Schiff base ligand's thermal behavior. From DFT studies, some parameters were obtained as bond angles and lengths, chemical hardness, softness, energy levels of highest occupied molecular orbital and lowest unoccupied molecular orbital, electrophilic index, dipole moment, electronegativity, and other variables. Against one or more bacterial species, it was discovered that the antibacterial activity of the metal complexes was superior to that of the free Schiff base. Furthermore, the complexes exhibited notable antioxidant activity according to the results obtained using DPPH scavenging. Overall, a detailed characterization of the synthesized compounds was performed, revealing their structural features, functional properties, and potential applications. Lastly, research on molecular docking was investigated toward all compounds against 3C1L antioxidant protein receptor.

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Doxorubicin inhibits SIRT2 and NF-kB p65 phosphorylation in Breast cell-line cancer

Rezgui,

Tachour,

Layaida

et al. 2025

Biochemical and Biophysical Research Communications

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Synthesis, spectroscopic characterization, density functional theory study, antimicrobial and antioxidant activities of curcumin and alanine-curcumin Schiff base

Cited by 4 publications

References 81 publications

Synthesis, characterization and exploration of photovoltaic behavior of hydrazide based scaffolds: a concise experimental and DFT study

Synthesis, characterization and exploration of photovoltaic behavior of hydrazide based scaffolds: a concise experimental and DFT study

Coordinated metal complexes with curcumin Schiff base: Synthesis, investigation, antibacterial screening, antioxidant studies, molecular docking and density function theory calculations

Doxorubicin inhibits SIRT2 and NF-kB p65 phosphorylation in Breast cell-line cancer

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