Copper and nickel complexes based on 4-((4-nitrophenyl) diazenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ol; synthesis, characterization, X-ray studies, DFT calculations, molecular docking and antimicrobial activity

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dc.authoridMeseha, Mina/0000-0002-8805-8009
dc.contributor.authorAmin, Mina A.
dc.contributor.authorDiker, Halide
dc.contributor.authorSahin, Onur
dc.contributor.authorVarlikli, Canan
dc.contributor.authorSoliman, Ahmed A.
dc.date.accessioned2025-03-23T19:41:21Z
dc.date.available2025-03-23T19:41:21Z
dc.date.issued2024
dc.departmentSinop Üniversitesi
dc.description.abstractTwo new copper(II) and nickel(II) complexes were prepared using 4-((4-nitrophenyl)diazenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ol (ndtp) and well-characterized spectroscopically and thermally and via X-ray studies. X-ray studies confirmed the formation of two octahedral complexes, containing two ndtp and two coordinated DMF molecules. The two complexes were evaluated in vitro against Escherichia coli, Pseudomonas aeruginosa, , Staphylococcus aureus and Bacillus cereus. . [Ni(ndtp)2(DMF)2] 2 (DMF) 2 ] showed an enhanced antibacterial activity against the different bacterial strains compared to the free ligand and that of the [Cu(ndtp)2(DMF)2]. 2 (DMF) 2 ]. The mean inhibition zones exhibited by [Ni(ndtp)2(DMF)2] 2 (DMF) 2 ] were 14.7+0.6, +0.6, 14.0+1.0, +1.0, and 16.3+0.6 +0.6 mm against Escherichia coli, , Staphylococcus aureus and Bacillus cereus, , respectively. Molecular docking studies of the two complexes were performed with DNA gyrase of Escherichia coli (PDB ID: 6F86) to evaluate the potential antibacterial activities, and it was proved that the complexes were efficient for the receptor.
dc.identifier.doi10.1016/j.inoche.2024.113063
dc.identifier.issn1387-7003
dc.identifier.issn1879-0259
dc.identifier.scopus2-s2.0-85202972075
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.inoche.2024.113063
dc.identifier.urihttps://hdl.handle.net/11486/6562
dc.identifier.volume169
dc.identifier.wosWOS:001307988400001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofInorganic Chemistry Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectCu(II) and Ni(II) complexes
dc.subjectPyrazole derivatives
dc.subjectDocking
dc.subjectDFT
dc.subjectAntibacterial activity
dc.titleCopper and nickel complexes based on 4-((4-nitrophenyl) diazenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ol; synthesis, characterization, X-ray studies, DFT calculations, molecular docking and antimicrobial activity
dc.typeArticle

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