Publications Internationales

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    Theoretical investigation of dicarboxamide mono copper (II) and novel transition metal complexes : structural, chemical reactivity, vibrational and in-silico biological analysis
    (Elsevier, 2019) Guechtouli, N.; Zaater, S.; Kichou, N.; Bouaziz-Terrachet, Souhila; Meghezzi, H.
    We are interested to the theoretical investigation of new synthesized dicarboxamide mono copper(II) complex, and other hypothetical one by modifying the transition metal by another one of the same series as (Mn(II), Fe(II), Fe(III), Co(II), Co(III), Cu(II), Ni(II) and Zn(II)). The aim of this study is to predict other stable complexes which can be synthesized and which would have comparable or better biological activity than that obtained experimentally, and predict their synthesis. For this purpose, structural, energetic, spectroscopic (IR, UV–Visible and NMR) properties have been evaluated at the DFT level. The stability of the considered complexes has been studied in the basis of the binding energies. The in-silico biological properties and chemical reactivity descriptors of hypothetical and synthesized compounds have been calculated and discussed
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    Transition-metal complexes of N,N′-di(4-bromophenyl)-4-hydroxycoumarin-3-carboximidamide : synthesis, characterization, biological activities, ADMET and drug-likeness analysis
    (Elsevier, 2021) Belkhir-Talbi, Drifa; Ghemmit-Doulache, Naima; Terrachet-Bouaziz, Souhila; Makhloufi-Chebli, Malika; Rabahi, Amal; Ismaili, Lhassane; Silva, Artur M.S.
    Coordination compounds of N,N’-di(4-bromophenyl)-4-hydroxycoumarin-3-carboximidamide (L1) were synthesized via the reaction of Cu (II), Co (II) and Zn (II) salts in molar ratio 1 : 1 in the presence of ammoniac as basic media. The Ligands and the complexes formed were characterized using FT-IR, UV–visible and fluorescence spectrophotometric analyses, mass spectrometry, elemental analyses and NMR spectroscopy. It was concluded that N,N’-di(4-bromophenyl)-4-hydroxycoumarin-3-carboximidamide (L1) coordinated as a mono ligand for all the complexes; it also coordinated via the –OH and –NH groups. The electrochemical behaviour of these compounds was determined by cyclic voltammetry. The synthesized compounds were screened for their antimicrobial and antioxidant activities. All the complexes except that of copper show good activities against the S. aureus and those of cobalt and zinc have very interesting diameters of inhibition but lower antioxidant activity than the ligand L1. Parameters drug-likeness and ADMET (Absorption, Distribution, Metabolism, and Excretion) properties have been calculated