BioMetals
New Ni(II) and Pd(II) complexes bearing derived sulfa drug ligands: synthesis, characterization, DFT calculations, and in silico and in vitro biological activity studies
Mohamed Amine Bourouai
1
,
Karima Si Larbi
1
,
Afaf Bouchoucha
1
,
Souhila Terrachet Bouaziz
2
,
Safia Djebbar
1
1
Hydrometallurgy and Molecular Inorganic Chemistry Laboratory, Faculty of Chemistry, University of Science and Technology Houari Boumediene, Algiers, Algeria
|
2
Department of Chemistry, Faculty of Science, University M’hamed Bouguerra, Boumerdes, Algeria
|
Publication type: Journal Article
Publication date: 2022-11-24
Metals and Alloys
General Biochemistry, Genetics and Molecular Biology
Biomaterials
General Agricultural and Biological Sciences
Abstract
In the present study, the synthesis of six new Ni(II) and Pd(II) complexes with three derived sulfamethoxazole drug ligands is reported. The coordination mode, geometry, and chemical formula of all the synthesized compounds have been determined by elemental analysis, mass spectrometry, emission atomic spectroscopy, conductivity measurements, magnetic susceptibility, FTIR, TGA, 1H-NMR, electronic absorption spectroscopy, SEM–EDX along with DFT calculations. The Schiff Base ligands were found to be bidentate and coordinated to the metal ions through sulfonamidic nitrogen and oxazolic nitrogen atoms leading to a square planar geometry for palladium (II) while a distorted octahedral geometry around Nickel (II) ion was suggested. Biological applications of the new complexes including in vitro antimicrobial, antioxidant and anticancer properties were investigated. The results showed that the new metal (II) compounds exhibit remarkable antibacterial inhibition activity against both Gram-positive and Gram-negative bacteria, in addition to noticeable DPPH free radical scavenging activity. The in vitro cytotoxicity assay of the complexes against cell lines of chronic myelogenous leukaemia (K562) showed promising potential for the application of the coordination compounds in antitumor therapy. Subsequently, to evaluate the pharmaceutical potential of the metal-containing compounds, pharmacokinetics and toxicity were studied by ADMET simulations while interactions between the complexes and bacterial proteins were evaluated by molecular docking.
Top-30
Citations by journals
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3
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Applied Organometallic Chemistry
3 publications, 20%
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Russian Journal of General Chemistry
2 publications, 13.33%
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Polyhedron
2 publications, 13.33%
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Journal of Molecular Structure
2 publications, 13.33%
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Journal of Coordination Chemistry
1 publication, 6.67%
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Inorganic Chemistry Communication
1 publication, 6.67%
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Russian Chemical Reviews
1 publication, 6.67%
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ChemistrySelect
1 publication, 6.67%
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BioMetals
1 publication, 6.67%
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Inorganica Chimica Acta
1 publication, 6.67%
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Citations by publishers
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6
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Elsevier
6 publications, 40%
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Wiley
4 publications, 26.67%
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Pleiades Publishing
2 publications, 13.33%
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Taylor & Francis
1 publication, 6.67%
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 6.67%
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Springer Nature
1 publication, 6.67%
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- We do not take into account publications without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Bourouai M. A. et al. New Ni(II) and Pd(II) complexes bearing derived sulfa drug ligands: synthesis, characterization, DFT calculations, and in silico and in vitro biological activity studies // BioMetals. 2022.
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Bourouai M. A., Si Larbi K., Bouchoucha A., Terrachet Bouaziz S., Djebbar S. New Ni(II) and Pd(II) complexes bearing derived sulfa drug ligands: synthesis, characterization, DFT calculations, and in silico and in vitro biological activity studies // BioMetals. 2022.
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TY - JOUR
DO - 10.1007/s10534-022-00469-3
UR - https://doi.org/10.1007/s10534-022-00469-3
TI - New Ni(II) and Pd(II) complexes bearing derived sulfa drug ligands: synthesis, characterization, DFT calculations, and in silico and in vitro biological activity studies
T2 - BioMetals
AU - Bourouai, Mohamed Amine
AU - Si Larbi, Karima
AU - Bouchoucha, Afaf
AU - Terrachet Bouaziz, Souhila
AU - Djebbar, Safia
PY - 2022
DA - 2022/11/24 00:00:00
PB - Springer Nature
SN - 0966-0844
SN - 1572-8773
ER -
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@article{2022_Bourouai,
author = {Mohamed Amine Bourouai and Karima Si Larbi and Afaf Bouchoucha and Souhila Terrachet Bouaziz and Safia Djebbar},
title = {New Ni(II) and Pd(II) complexes bearing derived sulfa drug ligands: synthesis, characterization, DFT calculations, and in silico and in vitro biological activity studies},
journal = {BioMetals},
year = {2022},
publisher = {Springer Nature},
month = {nov},
url = {https://doi.org/10.1007/s10534-022-00469-3},
doi = {10.1007/s10534-022-00469-3}
}