Synthesis of New 3‐(Furan‐2‐yl)‐Substituted Dibenzo‐Diazepin‐1‐one Derivatives

Wang, Fang‐Ming; Bao, Dan; Wang, Ming; Yin, Qinghuan; Chen, Lizhuang; Han, Guang‐Fan

doi:10.1002/jhet.2408

Cited by 3 publications

(3 citation statements)

References 24 publications

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“…It has μeff value of 5.17 B.M. which confirmed octahedral geometry of the Mn(II) complex [49]. Zn(II) and Cd(II) complexes are diamagnetic and according to their empirical formula, they have octahedral geometry.…”

Section: Electronic Spectra and Magnetic Moment Measurementsmentioning

confidence: 68%

Synthesis, spectroscopic, DFT and docking studies, molecular structure of new Schiff base metal complexes

Zayed

2021

Egypt. J. Chem.

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A Schiff base ligand (H2L) and its complexes have been synthesized and characterized by analytical tools, spectral (IR and 1 H NMR), molar conductivity and magnetic moment measurements. The thermal analysis (TG) technique is studied within the temperature range from room temperature to 1000 0 C. The IR spectra pointed out that the ligand (H2L) coordinated to the metal ions through two nitrogen and four oxygen atoms in a neutral mode. The structural formula of the synthesized Schiff base ligand was optimized using Gaussian09 program where the energy gaps and other important theoretical parameters were calculated applying the DFT/B3LYP method. In vitro biological activities of the Schiff base ligand (H2L) and its metal complexes were screened against Gram(+) bacteria (Bacillis subtilis and Staphylococcus aureus) and Gram(-) bacteria (Escherichia coli and Pseudomonas aeruginosa) using agar diffusion method. The results illustrated that the synthesized complexes are biologically active than the Schiff base ligand. Molecular docking study was carried out between the Schiff base ligand and crystal structure of Escherichia Coli, crystal structure of Staphylococcus Aureus, crystal structure of Bacillus subtilis and crystal structure of P. aeruginosa.

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Section: Electronic Spectra and Magnetic Moment Measurementsmentioning

confidence: 68%

Synthesis, spectroscopic, DFT and docking studies, molecular structure of new Schiff base metal complexes

Zayed

2021

Egypt. J. Chem.

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“…This indication confirms that complexation reaction happened via formation of oxygen coordinate bond of carbonyl group and epoxy group atoms of the ligand with metal ions. [ 28 ] The spectra of complexes showed new bands in range of 850–873 cm −l of the coordinated water. Middle bands are appeared in the range of 505–522 cm −l , which assigned as ν(M–O) stretching vibrations of coordinated water.…”

Section: Resultsmentioning

confidence: 99%

Section: Ft-ir Spectral Studiesmentioning

confidence: 99%

Synthesis, characterization, antimicrobial, and docking study of novel 1‐(furanyl)‐3‐(pyrrolyl)propenone‐based ligand and its chelates of 3d‐transition metal ions

Zayed

Radwan

et al. 2021

Applied Organom Chemis

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The novel ligand (L) 1-(furanyl)-3-(pyrrolyl)propenone had been synthesized, and its novel chelates of some 3d series of transition metal ions had been prepared and characterized. The structural properties of the titled compounds were explored using elemental analyses, spectroscopic techniques (UV-visible, MS, and FT-IR), molar conductivity, and magnetic susceptibility measurements. The scanning electron microscope (SEM) showed that the ligand and its metal chelates exist in stick crystallized structures and sizes of their molecules can exist in nanoform. Thermal analyses techniques (TG and DTA) measured the investigated chelates during their thermal degradation to elucidate their structures. It was proved that ligand (L) acts as bibasic bidentate ligand coordinating to metal cations via its two oxygen atoms of carbonyl and epoxy groups. The optimization of the structural formula for the examined ligand had been performed by using Gaussian 09 program. The energy gaps were calculated using the DFT/B3LYP method. The ligand and its chelates had been fixed to have consistent bond lengths and bond angles that proved via quantum chemical factors. The ligand (L) and its transition metal chelates had been tested for their antibacterial activities. In vitro biological properties for ligand (L) and its transition metal complexes were carried out against Gram-positive bacteria (Bacillus subtilis and Staphylococcus aureus) and Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa) by agar diffusion technique.The results showed that title compounds are biologically active than the parent ligand in their sticks crystalline and possible nanostructures and consequently large surface interactions. Molecular docking showed favorable interaction between ligand and crystal structures of 3t88 E. coli, 3ty7 S. aureus, 5h67 B. subtilis, and 5i39 P. aeruginosa. This docking study proved that nanosize of ligand helps it to interact efficiently with proteins of bacteria.

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ChemInform Abstract: Synthesis of New 3‐(Furan‐2‐yl)‐Substituted Dibenzo‐diazepin‐1‐one Derivatives.

et al. 2016

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Synthesis of New 3‐(Furan‐2‐yl)‐Substituted Dibenzo‐Diazepin‐1‐one Derivatives

Cited by 3 publications

References 24 publications

Synthesis, spectroscopic, DFT and docking studies, molecular structure of new Schiff base metal complexes

Synthesis, spectroscopic, DFT and docking studies, molecular structure of new Schiff base metal complexes

Synthesis, characterization, antimicrobial, and docking study of novel 1‐(furanyl)‐3‐(pyrrolyl)propenone‐based ligand and its chelates of 3d‐transition metal ions

ChemInform Abstract: Synthesis of New 3‐(Furan‐2‐yl)‐Substituted Dibenzo‐diazepin‐1‐one Derivatives.

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