Polymer complexes. LXXI. Spectroscopic studies, thermal properties, DNA binding and antimicrobial activity of polymer complexes

Serag

2019

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A novel series of copper polymer complexes (1–4) were synthesized and characterized using various spectroscopic techniques. Spectra of all polymer complexes a tetragonal distorted geometry for the Cu(II) ion. The electronic spectra, magnetic moments and electron spin resonance results indicate tetragonal distortion geometry for the Cu(II) polymer complexes. The effects of various solvents on absorption spectra of the ligand are discussed. A prediction of the interaction of the ligand against anti‐cancer receptors was carried out using AutoDock server. The affinity of the compounds to calf thymus DNA was determined through UV–visible DNA binding titration, and intrinsic binding constant (Kb) was found to be 4.16 × 103, 3.10 × 105, 3.18 × 104 and 2.91 × 105 for polymer complexes 1–4, respectively. The antimicrobial activity of the polymer complexes against bacterial species (Bacillus cereus, Staphylococcus aureus, Escherichia coli, Klebsiella pneumonia, Enterococcus faecalis and Pseudomonas aeruginosa) and fungal species (Aspergillus niger, Fusarium oxysporum and Candida albicans) was investigated.

Section: Resultssupporting

confidence: 69%

Polymer complexes. LXXII. Spectroscopic studies, thermodynamics, DNA binding and biological activity of polymer complexes

El‐Sonbati

Serag

2019

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“…The following conclusions can be drowning: The infrared spectra of ligands exhibit a strong band at 1645–1625 cm −1 due to υ (C=O) (pyrazolone ring) . The discussed infrared features beside the band appeared at ~1595–1575 cm −1 , can guide to assume the presence of υ (C=N‐) (hydrazone group) structure through resonating phenomena . In general, the presence of electron attracting group minimizes the charge transfer from the phenyl ring and this leads to increase the C=O band modes.…”

Section: Resultsmentioning

confidence: 95%

“…(E)) shows type of one molecule to another as given in Figure . The case (2) is more favored than case (1). This is due to the presence of broad band located at 875–975 cm −1 , which could be taken as a good evidence for the intramolecular hydrogen bonding …”

Section: Resultsmentioning

confidence: 97%

Supramolecular assembly of hydrogen bonding, ESR studies and theoretical calculations of Cu(II) complexes

Morgan¹,

El‐Sonbati

2018

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A series of copper(II) complexes were synthesized by the reaction of copper(II) chlorid with 1‐phenyl‐3methyl‐(3‐dervitives phenylhydrazo)‐5‐pyrazolone (HLn) yields 1:1 and 1:2 (M:L) complexes depending on the reaction conditions. The elemental analysis, spectral (IR, 1H NMR, UV‐Vis and ESR), conductance and magnetic measurements were used to characterize the isolated complexes. The IR spectral data indicate that the metal ions are coordinated through the oxygen of the keto and nitrogen of hydrazone groups. The UV‐Vis spectra, magnetic moments and ESR studies indicate square planar geometry for Cu(II) complexes (1–3) by NO monobasic bidentate and the two monobasic trans bidentate in octahedral geometry for Cu(II) complexes (4–6). It is found that the change of substituent affects the theoretical calculations of Cu(II) complexes. Molecular docking was used to predict the binding between the ligands (HLn) and the receptors of prostate cancer mutant (2Q7K), breast cancer mutant (3HB5), crystal structure of E. coli (3T88) and crystal structure of S. aureus (3Q8U). The molecular and electronic structures of Cu(II) complexes and quantum chemical calculations were studied. According to intramolecular hydrogen bond leads to increasing of the complexes stability.

“…The purpose of studying molecular docking is to simulate the molecular recognition process by achieving an optimized conformation for a protein and a drug with relative orientation between them such that the free energy of the overall system is minimized . Exploration of the molecular docking interaction of H 2 L was performed using Docking Server .…”

Section: Resultsmentioning

confidence: 99%

Inner metal complexes of tetradentate Schiff base: Synthesis, characterization, biological activity and molecular docking studies

Mohamed

Mahmoud

et al. 2019

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A novel Schiff base ligand, namely 2,2′‐((1E,1′E)‐(1,3‐phenylenebis(azanylylidene))bis(methanylylidene))diphenol (H2L), was synthesized by condensation of m‐phenylenediamine and 2‐hydroxybenzaldehyde (in 1:2 ratio). Series of complexes were obtained from the reaction of La(III), Er(III) and Yb(III) chlorides with H2L. The ligand and complexes were characterized using elemental analysis, infrared, 1H NMR, UV–visible and mass spectroscopies, magnetic susceptibility and conductivity measurements and thermal analysis. Infrared and 1H NMR spectra indicated the coordination of the azomethine nitrogens and deprotonated phenolic oxygen atoms in a tetradentate manner (ONNO). The thermal behaviour of the complexes was studied from ambient temperature to 1000°C. The complexes were found to have water molecules of hydration and coordinated water molecules. The complexes were found to possess high biological activities against various organisms compared to the free ligand (Gram‐positive bacteria Staphylococcus aureus and Bacillus subtilis, Gram‐negative bacteria Salmonella sp., Escherichia coli and Pseudomonas aeruginosa and fungi Aspergillus fumigatus and Candida albicans). The more effective and probable binding modes between H2L with different active sites of colon cancer (PDB code: 2hq6) and lung cancer (PDB code: 1x2j) receptors were investigated using molecular docking studies.