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    Synthesis, Biological Properties, and Molecular Docking Study of Novel 1,2,3-Triazole-8-quinolinol Hybrids
    (Amer Chemical Soc, 2024) El Faydy, Mohamed; Lakhrissi, Loubna; Dahaieh, Naoufel; Ounine, Khadija; Tuzun, Burak; Chahboun, Nabila; Boshaala, Ahmed
    A new series of 1,2,3-triazole-8-quinolinol hybrids were synthesized in good yields using monosubstituted acetonitriles and 5-azidomethyl-8-quinolinol as the starting reagents via a one-step protocol. The structures of 1,2,3-triazole-8-quinolinol hybrids were characterized by nuclear magnetic resonance (H-1 and C-13 NMR) spectroscopy and elemental analysis. Antibacterial activity in vitro of all the synthesized hybrids was investigated against Escherichia coli (E. coli), Xanthomonas fragariae (X. fragariae), Staphylococcus aureus (S. aureus), and Bacillus subtilis (B. subtilis) applying the methods of disk diffusion and minimal inhibition concentration (MIC). Hybrid 7 exhibited excellent antibacterial capacity, with an MIC value of 10 mu g/mL against S. aureus and 20 mu g/mL against B. subtilis, E. coli, and X. fragariae, which were comparable to those that of the standard antibiotic nitroxoline. A structure-activity relationship (SAR) study of 1,2,3-triazole-8-quinolinol hybrids showed that introducing electron-donating substituents in the 1,2,3-triazole ring at the 4-position is important for activity. Quantum chemical calculations have been undertaken to employ the Gaussian software in the B3LYP, HF, and M062X basis sets using 3-21g, 6-31g, and SDD levels to further explain linkages within the antibacterial findings. Furthermore, molecular docking investigations were also conducted to investigate the binding affinities as well as the interactions of some hybrids with the target proteins. An absorption, distribution, metabolism, excretion, and toxicity (ADME/T) investigation was carried out to scrutinize the viability of employing the 1,2,3-triazole-8-quinolinol hybrids as medicines.
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    Synthesis, structural confirmation, antibacterial properties and bio-informatics computational analyses of new pyrrole based on 8-hydroxyquinoline
    (Elsevier, 2022) Lakhrissi, Younes; Rbaa, Mohamed; Tuzun, Burak; Hichar, Abdelhadi; Anouar, El Hassane; Ounine, Khadija; Almalki, Faisal
    This study aims to synthesize new pyrrolic compounds derivatives of 8-hydroxyquinoline, explore the structure-activity relationship and the effect of the substituents carried by the pyrrole ring on their antibacterial properties. These compounds were characterized by IR, H-1, C-13 NMR and elemental analysis. The NMR predicted chemical shifts were determined by the GIAO approach and the solvent effect was taken into account using the polarizable continuum model (PCM). The evaluation of the antibacterial activity was carried out in vitro against three bacterial strains namely; E. coli (ATCC35218), S. aureus (ATCC29213) and P. aeruginosa (ATCC27853) using the disk method. The results of antibacterial activity were compared with those of a standard antibiotic (Norfloxacin). The Minimum Inhibitory Concentrations (MICs) were calculated and discussed. The results of the experimental tests were supported by bioinformatics Docking, DFT and POM studies. (C) 2022 Elsevier B.V. All rights reserved.
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    Synthesis, Structural confirmation, Antibacterial Properties and Bio-Informatics Computational Analyses of New Pyrrole Based on 8-Hydroxyquinoline (vol 1259, 132683, 2022)
    (Elsevier, 2023) Lakhrissi, Younes; Rbaa, Mohamed; Tuzun, Burak; Hichar, Abdelhadi; Anouar, El Hassane; Ounine, Khadija; Almalki, Faisal
    [Abstract Not Available]