Publications Scientifiques

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Author: search.filters.author.Terrachet-Bouaziz, Souhila

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    Sodium dodecyl benzene sulfonate-catalyzed reaction for green synthesis of biologically active benzylpyrazolyl-coumarin derivatives, mechanism studies, theoretical calculations
    (Elsevier, 2022) Halit, Sabrina; Benazzouz-Touami, Amina; Makhloufi-Chebli, Malika; Terrachet-Bouaziz, Souhila; Ighil Ahriz, Karima
    In the present work, a multicomponent protocol has been described for the synthesis of various benzylpyrazolyl-coumarin 5a-i structures, involving the reaction of 4-hydroxycoumarin, ethyl acetoacetate, hydrazine hydrate, and aldehydes, using an ethanol-water (1:1) mixture as the reaction medium and sodium dodecylbenzenesulfonate (SDBS) as the catalyst. This new approach has advantages such as short reaction time, recovery of the catalysts after the catalytic reaction and their reuse without loss of activity, as well as the lightening of the process. The structures of the obtained benzylpyrazolylcoumarins were determined and confirmed by melting point, 1H NMR and 13C NMR. The determination of antioxidant activity of the obtained benzylpyrazolylcoumarin 5a-i derivatives was studied using the DPPH scavenging assay. Molecular modeling studies using DFT (density function theory) calculations showed that there are six tautomeric structures A to F in which structure C is more stable than the others
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    Coordination of new palladium (II) complexes with derived furopyran-3,4‑dione ligands: Synthesis, characterization, redox behaviour, DFT, antimicrobial activity, molecular docking and ADMET studies
    (Elsevier, 2022) Fahima Dechouk, Lamia; Bouchoucha, Afaf; Abdi, Yamina; Si Larbi, Karima; Bouzaheur, Amal; Terrachet-Bouaziz, Souhila
    The synthesis, characterization, theoretical study, electrochemical behaviour and biological activity of new series of Pd (II) complexes were reported with 6-methyl-2-(phenyl(p-tolylamino)methyl)-4H-furo[3,2-c]pyran-3,4(2H)-dione derived ligands. [MLCl2] is the proposed general formula of complexes. The synthesized complexes were prepared and experimentally characterized by elemental analysis, SEM-EDX, FTIR, 1HNMR, UV-Visible spectroscopy, magnetic measurement, conductivity and thermal analysis. FTIR spectroscopy has revealed the coordination mode of complexes through nitrogen and oxygen atoms. The Density Functional Theory calculation was applied to optimize the geometric structure of complexes, whereas Orbital Molecular Frontiers calculations allowed to define their stability. The experimental electronic spectra and magnetic measurement results approved a square planar geometry for all complexes. These results correlate with theoretical calculations. The electrochemical behaviour of ligands and complexes were determined by cyclic voltammetry, which reveal different redox processes of Pd (II) couples for the three complexes. The antimicrobial activity of all compounds was evaluated against different micro-organisms using agar disc-diffusion method. Most of compounds exhibit a remarkable inhibition against standard yeasts and S. aureus Gram positive bacteria. The ADMET study was carried out to predict pharmacokinetic and toxicity of synthesised compounds. Molecular Docking of HL3 and Pd-HL3 against S. aureus was applied in order to study their molecular interactions
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    Synthesis, characterization, theoretical studies, ADMET and drug- Likeness analysis: Electrochemical and biological activities of metal complexes of 3-(2-hydroxybenzoyl)-2H-chromen-2-one
    (Elsevier, 2019) Belkhir-Talbi, Drifa; Makhloufi-Chebli, Malika; Terrachet-Bouaziz, Souhila; Hikem-Oukacha, Djamila; Ghemmit, Naima; Ismaili, Lhassane; M.S Silva, Artur; Maamar, Hamdi
    Coordination compounds of 3-(2-hydroxybenzoyl)-2H-chromen-2-one were synthesized by the reaction of Cu(II), Co(II) and Zn(II) salts in molar ratio 1: 1 in basic media. The compounds formed were characterized using infrared, Uv–vis spectrophotometric analyses, mass spectrometry, elemental analyses and NMR spectroscopy. It was concluded that 3-(2-hydroxybenzoyl)-2H-chromen-2-one coordinated as a mono ligand for all the complexes; it also coordinated via the two carbonyl moieties. The electrochemical behavior of these compounds was determined by cyclic voltammetry. The synthesized compounds were screened for their antimicrobial and antioxidant activities. The complexes exhibited good antimicrobial activity against Staphylococcus aureus (ATCC 25923) and good antioxidant activity. Parameters drug-likeness and ADME properties are calculated.
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    Synthesis, biological activities of chalcones and novel 4-acetylpyridine oximes, molecular docking of the synthesized products as acetylcholinesterase ligands
    (Elsevier, 2022) Ould Lamara, Kamilia; Makhloufi-Chebli, Malika; Benazzouz-Touami, Amina; Terrachet-Bouaziz, Souhila; Robert, Anthony; Machado-Rodrigues, Carine; Behr, Jean-Bernard
    Heterocyclic chalcones were synthesized by reaction of 4-acetylpyridine with the corresponding aromatic aldehydes under Claisen Schmidt conditions. These chalcones were used as starting material for the synthesis of oximes in the presence of hydroxylamine hydrochloride. The structures of the synthesized compounds were confirmed by IR, 1H NMR, 13C NMR and ESI-MS, HRMS spectral analyses. All the synthesized compounds were evaluated for their antioxidant activity by DPPH• method and their in vitro antimicrobial activity by disk diffusion method against two Gram-negative bacteria, one Gram-positive bacteria and two fungal strains (C. albicans and A. niger). The results showed that the synthesized compounds did not display significant antioxidant activity. However, compounds 3b, 3d, 3f, 3h, 3i showed excellent antibacterial activity better than the standard drug against the bacterial strain S. aureus (ATCC 25923). The two compounds 3c, 3d proved very active against the fungal strain A. niger (MIC= 7.81 µg/ mL, 15.62 µg/mL respectively) while the antifungal drug used as reference (Fluconazole) was inactive. Molecular docking and molecular dynamics results revealed that the synthesized compounds, 4e, 4c, and 5j, were involved in a large number of favorable interactions with the active site residues of the acetylcholinesterase protein, which can stabilize the ligands in the active site and increase their affinities
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    Novel palladium (II) complexes with iminocoumarin ligands : synthesis, characterisation, electrochemical behaviour, DFT calculations and biological activities, ADMET study and molecular docking
    (2022) Kerflani, Asma; Si Larbi, Karima; Rabahi, Amal; Bouchoucha, Afaf; Zaater, Sihem; Terrachet-Bouaziz, Souhila
    New Palladium (II) complexes with a series of iminocoumarin derivatives have been synthesized and charac- terized by analytical analysis, spectral methods, magnetic measurements and thermal studies. The experimental results indicated that the Pd(II) complexes are coordinated to the bidentate iminocoumarin derivatives with a distorted square planar geometry. The DFT calculations were performed in order to optimize the geometric structures, to calculate structural parameters and to explain the chemical reactivity of the synthesized com- pounds. Electrochemical behaviour of the synthesized compounds was studied by cyclic voltammetry. The antioxidant activity of free ligands and their Pd(II) complexes have been evaluated using the DPPH method. The antimicrobial activity was also evaluated in Vitro against two Gram-negative (E. coli, Klebsiella pneumonia), two gram-positive (Staphylococcus aureus, Enterococcus faecalis) and three fungal strains (Candida albicans, Candida tropicalis and Aspergillus niger) using the agar-diffusion method. The ADMET study was also accomplished in order to predict pharmacokinetic and toxicity of the synthesized compounds. Finaly, and in order to study the molecular interaction of the ligand L3 and its corresponding Pd(II) complex with the microbial enzymes; Docking studies were employed
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    Synthesis, biological activities and molecular docking study of 3-(3-oxobutanoyl)-2H-chromen-2-one derivative
    (Elsevier, 2021) Benazzouz-Touami, Amina; Hikem-Oukacha, Djamila; Ould Lamara, Kamilia; Halit, Sabrina; Terrachet-Bouaziz, Souhila; Makhloufi-Chebli, Malika
    Herein, we report the highly efficient total synthesis of a series of 3-(3-oxobutanoyl)-2H-chromen-2-one derivatives from salicylaldehyde(s) and 4‑hydroxy-6-methyl-2H-pyran-2-one (TAL) using Na2S2O3 as green and efficient catalyst. Structure elucidation of the products has been accomplished based on FT-IR, mass spectroscopy, 1H NMR and 13C NMR spectroscopy. The in vitro antioxidant activities of the drugs 3-(3-oxobutanoyl)-2H-chromen-2-one were tested by the quantitative 1,1-diphenyl-2-picrylhydrazyl (DPPH.) radical scavenging activity method. The compounds 3b, 3c and 3e proved to be the most active, showing high capacity to deplete the DPPH radicals. All synthesized compounds were screened for their antimicrobial activities and the results show that only 3f was active against bacteria Staphylococcus aureus compared to antibiotic used as reference. In addition, all synthesized compounds were docked with FtsZ from S. aureus protein using AutoDock 4 software. The results suggest that 3f binds with FtsZ protein with lower energy and undergoes good interactions with the active site amino
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    Selectivity control in the reaction between 2-hydroxyarylaldehydes and 4-hydroxycoumarin. Antioxidant activities and computational studies of the formed products
    (Elsevier, 2021) Ould Lamara, Kamilia; Makhloufi-Chebli, Malika; Benazzouz-Touami, Amina; Terrachet-Bouaziz, Souhila; Hamdi, Nejla; Silva, Artur M.S.; Behr, Jean-Bernard
    A series of 6H,7H-7-(4-Hydroxy-3-coumarinyl)[1]benzopyrano[4,3-b][1]benzopyran-6-ones 4a-g and 3-(2-hydroxybenzoyl)-2H-chromen-2-ones 5a-g derivatives were synthesized by reaction of 4-hydroxycoumarin with 2-hydroxyarylaldehydes 2a-f or 2-hydroxynaphtaldehyde 2g using different solvents and acid/base catalysts. The approach relies on a regioselective cascade reaction involving one/two molar equiv of the 4-hydroxy coumarin iteratively acting as active methylene substrate in a Knoevenagel condensation and in a Michael addition. The structures of all compounds were established by IR, mass spectrometry, 1H-NMR and 13C-NMR. Antioxidant activity of the synthesized compounds were determined using the DPPH scavenging assay, best results being obtained with 5b (IC50 = 236 µg/mL). Computational studies showed that the compounds bind in the ATP-binding site of p38 MAPK, in a same manner than known polyaromatic potent inhibitors. The synthesized compounds might be considered further for cancer therapy
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    Synthesis, DFT/TD-DFT theoretical studies, experimental characterization, electrochemical and antioxidant activity of Fe(III) complexes of bis (dimethylglyoximato) guanine
    (Elsevier, 2019) Abane-Merzouk, Lamia; Adkhis, Ahmed; Terrachet-Bouaziz, Souhila; Makhloufi-Chebli, Malika
    A new series of Iron (III) complexes of general formula [Fe(Hdmg) 2 (Gua)X]nH 2 O where (Hdmg = dimethylglyoximato monoanion, Gua = Guanine, X = Cl, Br or I) have been prepared and characterized by elemental analysis, conductivity, infrared spectra and electronic spectra. The molar conductance data confirm that all the complexes are no electrolytic. The mode of bonding and geometry of the Fe(III) complexes have been inferred spectral data, an octahedral geometry is ascribed for all the Fe(III) complexes. In these compounds, two dimethylglyoximato monoanions bond to the metal in the equatorial plan have been formed. The two axial sites being occupied by the guanine and the halogen moieties. The thermal properties of the Fe(III) complexes were investigated using TG and TDA. The thermal behavior of the compounds illustrates the general decomposition patterns of the complexes. The voltammetry experiments have been performed on the complexes to evaluate the redox process of Fe(III)/Fe(II) couple. These compounds were screened for their in-vitro antioxidant properties using 2,2-diphenyl-1-picrylhydrazyl radical (DPPH.) free radical scavenging. The results obtained show that these complexes have a good antioxidant activity in comparison with ascorbic acid as positive control
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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