| Titre : | Evaluation of the antioxidant and biological activities of the lipid and phenolic fractions from the leaves and fruits of Phillyrea angustifolia L | | Titre original : | Évaluation des activités antioxydantes et biologiques des fractions lipidiques et phénoliques des feuilles et des fruits de Phillyrea angustifolia L | | Type de document : | texte manuscrit | | Auteurs : | Ahmed Boufissiou, Auteur ; Mohamed Yousfi, Directeur de thèse | | Editeur : | Laghouat : Université Amar Telidji - Département de biologie | | Année de publication : | 2023 | | Importance : | 142 p. | | Format : | 27 cm. | | Accompagnement : | 1 disque optique numérique (CD-ROM) | | Note générale : | Option : Biochimie appliquée | | Langues : | Anglais | | Catégories : | THESES :14 biologie
| | Mots-clés : | Phillyrea angustifolia Lipids Phenolic compounds Antioxidant Sun factor protection Antibacterial Antifungal COVID-19 Molecular docking Molecular dynamics simulation | | Résumé : | This work aimed to investigate the antioxidant and biological activities of the lipidic, and phenolic fractions found in both the leaves and fruits of P. angustifolia. Alongside this, we will be conducting a virtual screening process based on earlier research into the chemical composition leaves to confirm the antimicrobial activities of the phenolic compounds and their potential as drugs for combating SARS-CoV-2. Firstly, the analysis of the fatty acid composition of the fruits indicated the presence of fatty acids commonly found in olives. Moreover, these fruits are abundant in unsaturated fatty acids, constituting approximately 90% of the total fatty acids present. The primary unsaturated fatty acids detected were Oleic acid (62.06 - 75.11%) and linoleic acid (13.00- 21.66%). The lipids in the fruits also contain saturated fatty acids, with noteworthy amounts of palmitic and stearic acids. Furthermore, the quantification of minor compounds content reveals that fruit oil is rich in TSC and TTC with the amounts of 28.76 - 55.90 mg/g lipid and 5.02-10.14 mg/g lipid, respectively; also, TCC shows a lower amount (0.31 - 1.04 mg/g lipid). the antioxidant activities (DPPH, FRAP) demonstrate that fruits lipids manifest a useful source of natural antioxidants. Secondly, the results of the comparative study showed that leaves extracts have more total phenolic and total flavonoid contents than the fruit, which confirms its maximum antioxidant potential. All extracts, whether leaves or fruits, showed a significant growth inhibition against Staphylococcus aureus and Enterococcus faecalis. In the same context, most leaves, and fruits, showed maximum activity against Staphylococcus aureus Followed by Escherichia coli. Moreover, the leaves and fruit extracts showed high SPF values close to the standard sunscreen VICHY. Alongside this, the docking study indicated Demethyloleuropein, Luteolin-7-O-glucoside, Apigenin 7-Glucoside, Oleuropein, Pinoresinol, and syringaresinol monoglucopyranoside showed a better binding affinity as compared to the native ligands against Rhomboid protease GlpG from E. coli compared to the native ligand. Moreover, a similar binding free energy value was found for luteolin-7-O-glucoside and apigenin 7-glucoside against the target protein S. aureus sortase A. Finally, Molecular docking of four phenolic compounds from P. angustifolia leaves with SARS-CoV-2 Mpro has been conducted. Similarly, the stability of selected ligand-protein interactions has been determined using MD simulations. Moreover, the quantitative structure-activity relationship (QSAR), MMGBSA binding energies, pharmacokinetics, and drug-likeness predictions for selected phenolic have been reported. The selected phenolic compounds (Luteolin-7-O-glucoside, Apigenin-7-O-glucoside, Demethyl-oleuropein, and Oleuropein aglycone) revealed strong binding contacts in the two active pockets of a target protein of SARS-CoV-2 Mpro. Both Demethyloleuropein and Oleuropein aglycone can interact with residues His41 and Cys145 (catalytic dyad) and other amino acids of the binding pocket of Mpro. According to QSAR, studies on pharmacokinetics and drug-like properties suggested that oleuropein aglycone could be the best inhibitor of SARS-CoV-2 for new drug design and development. These findings suggest that P. angustifolia leaves and fruits may provide promising drugs against oral yeast infections and certain pathogenic bacteria that could be used in skincare products. However, further in vivo, in vitro, and clinical studies are necessary to confirm the potential of these phenolic compounds against COVID-19. | | note de thèses : | Thèse de doctorat en sciences biologiques |
Evaluation of the antioxidant and biological activities of the lipid and phenolic fractions from the leaves and fruits of Phillyrea angustifolia L = Évaluation des activités antioxydantes et biologiques des fractions lipidiques et phénoliques des feuilles et des fruits de Phillyrea angustifolia L [texte manuscrit] / Ahmed Boufissiou, Auteur ; Mohamed Yousfi, Directeur de thèse . - Laghouat : Université Amar Telidji - Département de biologie, 2023 . - 142 p. ; 27 cm. + 1 disque optique numérique (CD-ROM). Option : Biochimie appliquée Langues : Anglais | Catégories : | THESES :14 biologie
| | Mots-clés : | Phillyrea angustifolia Lipids Phenolic compounds Antioxidant Sun factor protection Antibacterial Antifungal COVID-19 Molecular docking Molecular dynamics simulation | | Résumé : | This work aimed to investigate the antioxidant and biological activities of the lipidic, and phenolic fractions found in both the leaves and fruits of P. angustifolia. Alongside this, we will be conducting a virtual screening process based on earlier research into the chemical composition leaves to confirm the antimicrobial activities of the phenolic compounds and their potential as drugs for combating SARS-CoV-2. Firstly, the analysis of the fatty acid composition of the fruits indicated the presence of fatty acids commonly found in olives. Moreover, these fruits are abundant in unsaturated fatty acids, constituting approximately 90% of the total fatty acids present. The primary unsaturated fatty acids detected were Oleic acid (62.06 - 75.11%) and linoleic acid (13.00- 21.66%). The lipids in the fruits also contain saturated fatty acids, with noteworthy amounts of palmitic and stearic acids. Furthermore, the quantification of minor compounds content reveals that fruit oil is rich in TSC and TTC with the amounts of 28.76 - 55.90 mg/g lipid and 5.02-10.14 mg/g lipid, respectively; also, TCC shows a lower amount (0.31 - 1.04 mg/g lipid). the antioxidant activities (DPPH, FRAP) demonstrate that fruits lipids manifest a useful source of natural antioxidants. Secondly, the results of the comparative study showed that leaves extracts have more total phenolic and total flavonoid contents than the fruit, which confirms its maximum antioxidant potential. All extracts, whether leaves or fruits, showed a significant growth inhibition against Staphylococcus aureus and Enterococcus faecalis. In the same context, most leaves, and fruits, showed maximum activity against Staphylococcus aureus Followed by Escherichia coli. Moreover, the leaves and fruit extracts showed high SPF values close to the standard sunscreen VICHY. Alongside this, the docking study indicated Demethyloleuropein, Luteolin-7-O-glucoside, Apigenin 7-Glucoside, Oleuropein, Pinoresinol, and syringaresinol monoglucopyranoside showed a better binding affinity as compared to the native ligands against Rhomboid protease GlpG from E. coli compared to the native ligand. Moreover, a similar binding free energy value was found for luteolin-7-O-glucoside and apigenin 7-glucoside against the target protein S. aureus sortase A. Finally, Molecular docking of four phenolic compounds from P. angustifolia leaves with SARS-CoV-2 Mpro has been conducted. Similarly, the stability of selected ligand-protein interactions has been determined using MD simulations. Moreover, the quantitative structure-activity relationship (QSAR), MMGBSA binding energies, pharmacokinetics, and drug-likeness predictions for selected phenolic have been reported. The selected phenolic compounds (Luteolin-7-O-glucoside, Apigenin-7-O-glucoside, Demethyl-oleuropein, and Oleuropein aglycone) revealed strong binding contacts in the two active pockets of a target protein of SARS-CoV-2 Mpro. Both Demethyloleuropein and Oleuropein aglycone can interact with residues His41 and Cys145 (catalytic dyad) and other amino acids of the binding pocket of Mpro. According to QSAR, studies on pharmacokinetics and drug-like properties suggested that oleuropein aglycone could be the best inhibitor of SARS-CoV-2 for new drug design and development. These findings suggest that P. angustifolia leaves and fruits may provide promising drugs against oral yeast infections and certain pathogenic bacteria that could be used in skincare products. However, further in vivo, in vitro, and clinical studies are necessary to confirm the potential of these phenolic compounds against COVID-19. | | note de thèses : | Thèse de doctorat en sciences biologiques |
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