Browsing by Author "Dumas, Françoise"

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    Green synthesis, antioxidant and antibacterial activities of 4-aryl-3,4- dihydropyrimidinones/thiones derivatives of curcumin. Theoretical calculations and mechanism study
    (Elsevier, 2019) Khaldi-Khellafi, Nassima; Makhloufi-Chebli, Malika; Oukacha-Hikem, Djamila; Terachet Bouaziz, Souhila; Ould Lamara, Kamilia; Idir, Taous; Benazzouz-Touami, Amina; Dumas, Françoise
    3,4-Dihydropyrimidin-2(1H)-one/thione analogs of curcumin were synthesized in good yield by a onepot multi-component cyclocondensation using curcumin, substituted aromatic aldehydes, and urea/ thiourea in less volume of ethanol catalysed by commercial heteropolyacide Keggin type H3PMo12O40 5% mol as a recyclable and nontoxic catalyst under conventional heating and microwave irradiation. All the synthesized curcumin derivatives 4aen were screened for antioxidant and antimicrobial activity. Biological activity data of the synthesized showed that most of the synthesized compounds exhibited greater antioxidant and antibacterial activity than curcumin. Geometries of synthesized compounds were optimized by using B3LYP method with 6-31G* basis set. Then, DFT based reactivity descriptors such as HOMO, LUMO, chemical hardness, electronegativity, chemical potential were calculated and discussed.
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    Green synthesis, characterization, structure, biological activity, theoretical calculations and drug-likeness analysis of coumarins
    (Elsevier, 2020) Khaldi-Khellafi, Nassima; Oukacha-Hikem, Djamila; Terrachet Bouaziz, Souhila; Abdoun, Amar; Makhloufi-Chebli, Malika; Dumas, Françoise; M.S. Silva, Artur; Hamdi, Maamar
    Condensation of salicylaldehydes and 2-hydroxynaphthaldehyde with various β−dicarbonyl derivatives 2a-c , in the presence of KF-Al 2 O 3 , leads to the synthesis of a series of coumarins 3-8 and benzo[ f ]coumarins 10 respectively by a solvent free reaction under microwave irradiation. The catalyst is recovered by a simple filtration and reused in subsequent reactions. The structure of all synthesized compounds has been established by using analytical techniques such as IR, 1 H and 13 C NMR spectroscopic spectra and elemental analysis. Most of the coumarins exhibited significant antibacterial activity against S. aureus Gram-positive bacteria compared to Cefotaxime as positive control. The compounds 4a and 7a demonstrated moderate antimicrobial activity against compound 8a is extremely sensitive.. In addition, the compounds showed moderate to good antiradical (DPPH) activity. Theoretical calculations let us to confirm the reaction mechanism. Parameters drug-likeness and physicochemical properties including pharmacokinetic analysis of the synthesized compounds was performed using DruliTo program.