Polymer complexes. LXIX. Some divalent metal(II) polymer complexes of potentially bidentate monomer N‐[4‐(5‐methyl‐isoxazol‐3‐ylsulfamoyl)‐phenyl]‐acrylamide: Synthesis, spectroscopic characterization, thermal properties, antimicrobial agents and DNA studies

2018

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A new series of transition metal complexes of Cu(II), Co(II), Ni(II), Mn(II) and Cd(II) were prepared from the ligand of 5-(4-benzenesulfonic acid azo)-2thioxo-4-thiazolidinone (H 2 L). The M(II) complexes were structurally elucidated by elemental analysis, infrared spectra, spectral studies, thermal analysis, magnetic measurements and X-ray diffraction analysis. Elemental analysis and IR result suggested the ligand was bonded to the metal ions in monobasic/neutral bidentate through the nitrogen atom of the hydrazone group and oxygen atom of carbonyl group. The bond length, bond angle, HOMO, LUMO and quantum chemical parameters were calculated to confirm the geometry of the ligand and the M(II) complexes. In vitro antimicrobial behavior of ligand (H 2 L) and its M(II) complexes (1-5) was screened with targeted bacterial and fungal strains. Spectroscopic (UV-vis) technique was employed in order to study the binding mode and binding strength of the ligand (H 2 L) and its M(II) complexes to Calf thymus DNA (CT-DNA). Intercalation is the most possible mode of interaction of the ligand (H 2 L) and its M(II) complexes with CT-DNA and the determined binding constants. Molecular docking was used to predict the binding between the starts (4-aminobenzenesulfonic acid (start 1) and 2-thioxo-4-thiazolidinone (start 2)) and tautomers (A-C) of ligand (H 2 L) with the receptors of prostate cancer mutant (PDB code: 2Q7K) and breast cancer mutant (PDB code: 3HB5).

Section: Kinetic Studiesmentioning

confidence: 99%

Synthesis, spectroscopic, thermal properties, Calf thymus DNA binding and quantum chemical studies of M(II) complexes

Morgan¹,

2018

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“…The thermodynamics parameters data obtained from the two methods of Coast-Redfern and Horowitz-Metzger methods are comparable and can be considered in good agreement with each other. [35,36] The data obtained are summarized in the following:…”

Section: Kinetic Studiesmentioning

confidence: 99%

“…[15] 3.6 | DNA binding study DNA is one of the most important biomacromolecules in life processes because it carries inheritance information and instructs the biological synthesis. [7,35,37] The intercalation of HL and its polymer complexes with Calf thymus DNA (CT-DNA) is carried out using absorption spectroscopy to determine the intrinsic binding constant (K b ) to CT-DNA. In presence of DNA, the absorption bands of the HL and its polymer complexes (1-5) exhibited hypochromism and red shift of about 1-4 nm at about 433, 414, 420, 345, 431 and 430 nm for HL and its polymer complexes (1-5), respectively, ( Figure S12).…”

Section: Kinetic Studiesmentioning

confidence: 99%

“…There are six factors that govern the biological activity of the metal complexes: (i) the nature of the donor atoms, (ii) the chelate effect of the monomer, (iii) the nature of the metal ion, (iv) the total charge on the complex ion, (v) the geometrical structure of the complex and (vi) the nature of the counter ions that neutralize the complex. [35,38] The results of the antifungal activity of the HL and polymer complexes (1-5) are listed in Table 8. HL and polymer complexes (1-3) have no antifungal activity against Aspergillus fumigatus and Candida albicans but Cr(III) and Cd(II) polymer complexes (4 and 5) have effects against Aspergillus fumigatus and Candida albicans.…”

Section: Antimicrobial Activities Studymentioning

confidence: 99%

“…20.33%). The third decomposition step within the temperature range of 430-800°C corresponded to the loss of C 16 H 8 N 4 O 0.5 with a mass loss of 35.08% (calcd 35…”

mentioning

confidence: 99%

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

Morgan³

et al. 2018

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Polymer complexes of Co(II), Ni(II), Mn(II), Cr(III) and Cd(II) were prepared by the reaction of 3‐allyl‐5‐[(4‐nitrophenylazo)]‐2‐thioxothiazolidine‐4‐one (HL) with metal ions. The structure of polymer complexes was characterized by elemental analysis, IR, UV–Vis spectra, X‐ray diffraction analysis, magnetic susceptibility, conductivity measurements and thermal analysis. Reaction of HL with Co(II), Ni(II), Mn(II), Cr(III) and Cd(II) ions (acetate or chloride) give polymer complexes (1–5) with general stoichiometric [M(L)(O2CCH3)(H2O)2]n (where L = anionic of HL and M = Co(II) (1) or Ni(II) (2)), [Mn(HL)2(OCOCH3)2]n (3), [Cr(L)2(Cl)(H2O)]n (4) and [Cd(HL)(O2CCH3)2]n (5). The value of HOMO–LUMO energy gap (ΔE) for forms (A‐C) of monomer (HL) is 2.529, 2.296 and 2.235 eV, respectively. According to ΔE value, compound has minimum ΔE is the more stable, so keto hydrazone form (C) is more stable than the other forms (azo keto form (A), azo enol form (B)). The interaction between HL, polymer complexes of Co(II), Ni(II), Mn(II), Cr(III) and Cd(II) with Calf thymus DNA showed hypochromism effect. The HL and its polymer complexes were tested against some bacterial and fungal species. The results showed that the Cr(III) polymer complex (4) has more antibacterial activity than HL and polymer complexes (1–3 and 5) against Bacillus subtilis, Staphylococcus aureus and Salmonella typhimurium.

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

Morgan¹,

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.