Browsing by Author "Lynda Golea"

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    Chemical constituents from Lotus pusillus Medik
    (2012-12-03) Lynda Golea
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    Phytochemical components and biological activities of Silene arenarioides Desf.
    (2017-02-24) Lynda Golea
    In this study, six known compounds 1–6 were isolated from the aerial parts of Silene arenarioides Desf. using different chromatographic methods. The structures of these compounds were identified as maltol glycoside (1), soyacerebroside I (2), chrysin (3), apigenin (4), quercetin (5) and stigmasterol glucoside (6). The compounds (1) and (2) are reported for the first time from this genus. The isolated compounds were determined using NMR techniques (1H NMR, 13C NMR, COSY, HSQC and HMBC) and mass spectroscopy (ESI-MS). The antibacterial and antioxidant activities of extracts and of compound (1) have been evaluated. The antioxidant activity was performed by DPPH radical scavenging method, which showed that methanol extract possesses a good antioxidant activity with value of IC50 = 8.064 ± 0.005 μg/mL
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    Synthesis, characterization of some substituted Quinolines derivatives: DFT, computational, in silico ADME, molecular docking and biological activities
    (2022-12-13) Lynda Golea
    In the present work, an easy and conventional method has been adopted for the synthesis of novel quinoline alcohols in good yields. The structure of synthesized compounds was analysed by FTIR, 1 H, 13C NMR. The prepared compounds were evaluated for antibacterial activity against one Gram-positive bacteria, and two Gram-negative bacteria. The result showed moderate antimicrobial activities. Also, antioxidant capacities of the synthesized compounds were determined by using DPPH method. Using DFT-based structure optimization, the HOMO-LUMO energy gaps of compounds (5a-c) were calculated theoretically at B3LYP in conjunction with the base 6-311G (d, p). Moreover, molecular docking studies were executed for the newly synthesized compounds to propose their mechanism of action against the coronavirus-2 (SARS-CoV-2) Protease Inhibitor. Of all compounds, quinoline derivatives shows the strongest affinity to ligand-receptor (PDB ID: 6LU7). In silico ADME study was also performed to predict the pharmacokinetic profile which expressed good oral drug-like behavior
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    Synthesis, DFT, Molecular docking Analysis and Antibacterial, Antioxidant Activities of trisubstituted pyrazoles
    (2021) Lynda Golea
    Pyrazole and its derivatives are contemplated crucial compounds in heterocyclic chemistry which are also used extensively in organic synthesis. These cycles are known for their biological and pharmacological activities. The present investigation is in the interest of some synthesized derivatives containing the pyrazole moieties. (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)- pyridin-4-yl-methanone (1) and Furan-2-yl-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)- methanone (2) were synthesized by cyclocondensation of the 1,3-dicarbonyl with the hydrazine derivative with a simple and rapid approach to obtain substituted pyrazole. All structures of these compounds were elucidated by spectral (1H NMR and 13C NMR) analysis. The antibacterial activity of the synthesized compounds was screened against two Gram-positive and Gram-negative bacteria, and all of them displayed moderate activity. The radical scavenging activity of these compounds were evaluated using 1,1-diphenyl-2-picrylhydrazyl (DPPH), the synthetic compounds showed moderate antioxidant activities. In addition, the results obtained from antibacterial activity were further explained with the help of DFT and molecular orbital calculations with a basis set 6- 311+G (d, p). The synthesized compounds were docked with 6RKV enzymes with the use molecular docking tools and the docking results are explained all interactions amino acid residue of enzyme and compounds.