Preliminary Data on <i>Silybum marianum</i> Metabolites: Comprehensive Characterization, Antioxidant, Antidiabetic, Antimicrobial Activities, LC-MS/MS Profiling, and Predicted ADMET Analysis
Background/Objectives: <i>Silybum marianum</i> extract, obtained via microwave-enhanced extraction, was evaluated for its antioxidant, antidiabetic, and antimicrobial activities to explore its therapeutic potential. Methods: The extraction was performed using microwave-enhanced technique...
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| author | Sabrina Lekmine Ouided Benslama Mohammad Shamsul Ola Nabil Touzout Hamza Moussa Hichem Tahraoui Haroun Hafsa Jie Zhang Abdeltif Amrane |
| author_facet | Sabrina Lekmine Ouided Benslama Mohammad Shamsul Ola Nabil Touzout Hamza Moussa Hichem Tahraoui Haroun Hafsa Jie Zhang Abdeltif Amrane |
| author_sort | Sabrina Lekmine |
| collection | DOAJ |
| description | Background/Objectives: <i>Silybum marianum</i> extract, obtained via microwave-enhanced extraction, was evaluated for its antioxidant, antidiabetic, and antimicrobial activities to explore its therapeutic potential. Methods: The extraction was performed using microwave-enhanced techniques, and LC-MS/MS was employed to profile the metabolites in the extract. Total phenolic and flavonoid contents were quantified using spectrophotometric methods. Antioxidant activity was assessed using DPPH, ABTS, CUPRAC, Phenanthroline, and FRAP assays. Enzyme inhibition assays were conducted to evaluate antidiabetic activity against α-glucosidase and α-amylase. Antimicrobial activity was determined using the disc diffusion method, and in silico ADMET and drug-likeness analyses were performed for key metabolites. Results: The extract contained 251.2 ± 1.2 mg GAE/g of total phenolics and 125.1 ± 1.6 mg QE/g of total flavonoids, with 33 metabolites identified, including phenolic acids, tannins, flavonoids, and flavolignans. Strong antioxidant activity was observed, with IC<sub>50</sub> values of 19.2 ± 2.3 μg/mL (DPPH), 7.2 ± 1.7 μg/mL (ABTS), 22.2 ± 1.2 μg/mL (CUPRAC), 35.2 ± 1.8 μg/mL (Phenanthroline), and 24.1 ± 1.2 μg/mL (FRAP). Antidiabetic effects were significant, with IC<sub>50</sub> values of 18.1 ± 1.7 μg/mL (α-glucosidase) and 26.5 ± 1.3 μg/mL (α-amylase). Antimicrobial activity demonstrated inhibition zones of 8.9 ± 1.1 mm (<i>Bacillus subtilis</i>), 12.6 ± 1.6 mm (<i>Escherichia coli</i>), 8.2 ± 1.2 mm (<i>Fusarium oxysporum</i>), and 9.2 ± 1.1 mm (<i>Aspergillus niger</i>). In silico analyses showed high absorption, favorable metabolism and excretion, and minimal toxicity, with no hERG channel inhibition or hepatotoxicity. Conclusions: The comprehensive results highlight the significant antioxidant, antidiabetic, and antimicrobial activities of <i>S. marianum</i> extract, suggesting its potential for therapeutic and preventive applications. |
| format | Article |
| id | doaj-art-2103f6a74b814a5fa02a05aaa0b86593 |
| institution | Kabale University |
| issn | 2218-1989 |
| language | English |
| publishDate | 2025-01-01 |
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| spelling | doaj-art-2103f6a74b814a5fa02a05aaa0b865932025-01-24T13:41:09ZengMDPI AGMetabolites2218-19892025-01-011511310.3390/metabo15010013Preliminary Data on <i>Silybum marianum</i> Metabolites: Comprehensive Characterization, Antioxidant, Antidiabetic, Antimicrobial Activities, LC-MS/MS Profiling, and Predicted ADMET AnalysisSabrina Lekmine0Ouided Benslama1Mohammad Shamsul Ola2Nabil Touzout3Hamza Moussa4Hichem Tahraoui5Haroun Hafsa6Jie Zhang7Abdeltif Amrane8Biotechnology, Water, Environment and Health Laboratory, Abbes Laghrour University, Khenchela 40000, AlgeriaLaboratory of Natural Substances, Biomolecules, and Biotechnological Applications, Department of Natural and Life Sciences, Larbi Ben M’Hidi University, Oum El Bouaghi 04000, AlgeriaDepartment of Biochemistry, College of Science, King Saud University, Riyadh 11451, Saudi ArabiaLaboratory of Biomaterials and Transport Phenomena (LBMTP), University Yahia Fares, Médéa 26000, AlgeriaLaboratoire de Gestion et Valorisation des Ressources Naturelles et Assurance Qualité (LGVRNAQ), Faculté des Sciences de la Nature et de la Vie et des Sciences de la Terre, Université de Bouira, Bouira 10000, AlgeriaLaboratory of Biomaterials and Transport Phenomena (LBMTP), University Yahia Fares, Médéa 26000, AlgeriaLaboratory of Reaction Engineering, USTHB, BP 32, Algiers 16111, AlgeriaSchool of Engineering, Merz Court, Newcastle University, Newcastle upon Tyne NE1 7RU, UKUniv Rennes, Ecole Nationale Supérieure de Chimie de Rennes, CNRS, ISCR—UMR6226, 35000 Rennes, FranceBackground/Objectives: <i>Silybum marianum</i> extract, obtained via microwave-enhanced extraction, was evaluated for its antioxidant, antidiabetic, and antimicrobial activities to explore its therapeutic potential. Methods: The extraction was performed using microwave-enhanced techniques, and LC-MS/MS was employed to profile the metabolites in the extract. Total phenolic and flavonoid contents were quantified using spectrophotometric methods. Antioxidant activity was assessed using DPPH, ABTS, CUPRAC, Phenanthroline, and FRAP assays. Enzyme inhibition assays were conducted to evaluate antidiabetic activity against α-glucosidase and α-amylase. Antimicrobial activity was determined using the disc diffusion method, and in silico ADMET and drug-likeness analyses were performed for key metabolites. Results: The extract contained 251.2 ± 1.2 mg GAE/g of total phenolics and 125.1 ± 1.6 mg QE/g of total flavonoids, with 33 metabolites identified, including phenolic acids, tannins, flavonoids, and flavolignans. Strong antioxidant activity was observed, with IC<sub>50</sub> values of 19.2 ± 2.3 μg/mL (DPPH), 7.2 ± 1.7 μg/mL (ABTS), 22.2 ± 1.2 μg/mL (CUPRAC), 35.2 ± 1.8 μg/mL (Phenanthroline), and 24.1 ± 1.2 μg/mL (FRAP). Antidiabetic effects were significant, with IC<sub>50</sub> values of 18.1 ± 1.7 μg/mL (α-glucosidase) and 26.5 ± 1.3 μg/mL (α-amylase). Antimicrobial activity demonstrated inhibition zones of 8.9 ± 1.1 mm (<i>Bacillus subtilis</i>), 12.6 ± 1.6 mm (<i>Escherichia coli</i>), 8.2 ± 1.2 mm (<i>Fusarium oxysporum</i>), and 9.2 ± 1.1 mm (<i>Aspergillus niger</i>). In silico analyses showed high absorption, favorable metabolism and excretion, and minimal toxicity, with no hERG channel inhibition or hepatotoxicity. Conclusions: The comprehensive results highlight the significant antioxidant, antidiabetic, and antimicrobial activities of <i>S. marianum</i> extract, suggesting its potential for therapeutic and preventive applications.https://www.mdpi.com/2218-1989/15/1/13<i>Silybum marianum</i>antioxidantenzyme-inhibitoryantimicrobialmicrowave-enhanced extraction |
| spellingShingle | Sabrina Lekmine Ouided Benslama Mohammad Shamsul Ola Nabil Touzout Hamza Moussa Hichem Tahraoui Haroun Hafsa Jie Zhang Abdeltif Amrane Preliminary Data on <i>Silybum marianum</i> Metabolites: Comprehensive Characterization, Antioxidant, Antidiabetic, Antimicrobial Activities, LC-MS/MS Profiling, and Predicted ADMET Analysis Metabolites <i>Silybum marianum</i> antioxidant enzyme-inhibitory antimicrobial microwave-enhanced extraction |
| title | Preliminary Data on <i>Silybum marianum</i> Metabolites: Comprehensive Characterization, Antioxidant, Antidiabetic, Antimicrobial Activities, LC-MS/MS Profiling, and Predicted ADMET Analysis |
| title_full | Preliminary Data on <i>Silybum marianum</i> Metabolites: Comprehensive Characterization, Antioxidant, Antidiabetic, Antimicrobial Activities, LC-MS/MS Profiling, and Predicted ADMET Analysis |
| title_fullStr | Preliminary Data on <i>Silybum marianum</i> Metabolites: Comprehensive Characterization, Antioxidant, Antidiabetic, Antimicrobial Activities, LC-MS/MS Profiling, and Predicted ADMET Analysis |
| title_full_unstemmed | Preliminary Data on <i>Silybum marianum</i> Metabolites: Comprehensive Characterization, Antioxidant, Antidiabetic, Antimicrobial Activities, LC-MS/MS Profiling, and Predicted ADMET Analysis |
| title_short | Preliminary Data on <i>Silybum marianum</i> Metabolites: Comprehensive Characterization, Antioxidant, Antidiabetic, Antimicrobial Activities, LC-MS/MS Profiling, and Predicted ADMET Analysis |
| title_sort | preliminary data on i silybum marianum i metabolites comprehensive characterization antioxidant antidiabetic antimicrobial activities lc ms ms profiling and predicted admet analysis |
| topic | <i>Silybum marianum</i> antioxidant enzyme-inhibitory antimicrobial microwave-enhanced extraction |
| url | https://www.mdpi.com/2218-1989/15/1/13 |
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