Mass Spectrometric Based Metabolomics of the Saudi Cultivar of Fenugreek (<i>Trigonella foenum-graecum</i> L.): A Combined GC-MS, Antimicrobial and Computational Approach
<b>Background and Objective:</b> In Saudi Arabia, numerous plant species with promising medicinal properties are cultivated, widely traded, and commonly utilized in traditional medicine, including fenugreek (<i>Trigonella foenum-graecum</i>). This study aimed to comprehensive...
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2024-12-01
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| author | Nujud A. M. Almuzaini Abdel Moneim E. Sulieman Naimah A. Alanazi Riadh Badraoui Emad M. Abdallah |
| author_facet | Nujud A. M. Almuzaini Abdel Moneim E. Sulieman Naimah A. Alanazi Riadh Badraoui Emad M. Abdallah |
| author_sort | Nujud A. M. Almuzaini |
| collection | DOAJ |
| description | <b>Background and Objective:</b> In Saudi Arabia, numerous plant species with promising medicinal properties are cultivated, widely traded, and commonly utilized in traditional medicine, including fenugreek (<i>Trigonella foenum-graecum</i>). This study aimed to comprehensively assess the phytochemical composition and antimicrobial potential of the Saudi cultivar of fenugreek using an integrative approach combining in vitro and in silico methodologies. <b>Methods:</b> A comprehensive investigation was conducted on the ethanol extract of fenugreek seeds, assessing its antibacterial, antifungal, properties. Computational modeling was employed to predict pharmacokinetic behavior and potential toxicity of the identified bioactive compounds. <b>Results:</b> Qalitative phytochemical analysis showed presence of alkaloids, tannins, saponins, glycosides, flavonoids, and steroids, while terpenoids were notably absent. GC-MS analysis of <i>Trigonella foenum-graecum</i> (fenugreek) seeds identified 25 bioactive compounds, with Ethyl methane sulfonate (12.41%) being the predominant component. Other key compounds included n-Hexadecanoic acid, 4-Butyl-2(4-nitrophenyl)-1,3-thiazole, and α-Tocopherol. In silico modeling of fenugreek phytochemicals supported their antibacterial, antioxidant, and neuroprotective potential, with compounds <b>21</b> and <b>24</b> showing strong binding to key targets like Tyrosyl-tRNA Synthetase (TyrRS) of <i>Staphylococcus aureus</i> (<i>S. aureus</i>), Aspartic proteinase from <i>Candida albicans</i> (<i>C. albicans</i>) and human peroxiredoxin 5. Pharmacokinetic analysis indicated good oral bioavailability, minimal CYP inhibition, and blood-brain barrier penetration, suggesting potential for treating neurodegenerative diseases. These bioactive compounds, including diosgenin and trigonelline, support fenugreek’s therapeutic promise and warrant further in vitro, in vivo, and clinical studies. <b>Conclusion:</b> The Saudi fenugreek cultivar is rich in bioactive compounds with good antibacterial potential. These findings establish a robust foundation for continued pharmacological research on the Saudi cultivar of <i>T. foenum-graecum</i>, highlighting its potential as a rich source of bioactive compounds with significant medicinal value. |
| format | Article |
| id | doaj-art-1168bb7c3f3e46568fbeee228e07a54e |
| institution | DOAJ |
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| language | English |
| publishDate | 2024-12-01 |
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| spelling | doaj-art-1168bb7c3f3e46568fbeee228e07a54e2025-08-20T02:43:20ZengMDPI AGPharmaceuticals1424-82472024-12-011712173310.3390/ph17121733Mass Spectrometric Based Metabolomics of the Saudi Cultivar of Fenugreek (<i>Trigonella foenum-graecum</i> L.): A Combined GC-MS, Antimicrobial and Computational ApproachNujud A. M. Almuzaini0Abdel Moneim E. Sulieman1Naimah A. Alanazi2Riadh Badraoui3Emad M. Abdallah4Department of Biology, College of Sciences, University of Hail, Hail P.O. Box 2440, Saudi ArabiaDepartment of Biology, College of Sciences, University of Hail, Hail P.O. Box 2440, Saudi ArabiaDepartment of Biology, College of Sciences, University of Hail, Hail P.O. Box 2440, Saudi ArabiaDepartment of Biology, College of Sciences, University of Hail, Hail P.O. Box 2440, Saudi ArabiaDepartment of Biology, College of Science, Qassim University, Buraydah 51452, Saudi Arabia<b>Background and Objective:</b> In Saudi Arabia, numerous plant species with promising medicinal properties are cultivated, widely traded, and commonly utilized in traditional medicine, including fenugreek (<i>Trigonella foenum-graecum</i>). This study aimed to comprehensively assess the phytochemical composition and antimicrobial potential of the Saudi cultivar of fenugreek using an integrative approach combining in vitro and in silico methodologies. <b>Methods:</b> A comprehensive investigation was conducted on the ethanol extract of fenugreek seeds, assessing its antibacterial, antifungal, properties. Computational modeling was employed to predict pharmacokinetic behavior and potential toxicity of the identified bioactive compounds. <b>Results:</b> Qalitative phytochemical analysis showed presence of alkaloids, tannins, saponins, glycosides, flavonoids, and steroids, while terpenoids were notably absent. GC-MS analysis of <i>Trigonella foenum-graecum</i> (fenugreek) seeds identified 25 bioactive compounds, with Ethyl methane sulfonate (12.41%) being the predominant component. Other key compounds included n-Hexadecanoic acid, 4-Butyl-2(4-nitrophenyl)-1,3-thiazole, and α-Tocopherol. In silico modeling of fenugreek phytochemicals supported their antibacterial, antioxidant, and neuroprotective potential, with compounds <b>21</b> and <b>24</b> showing strong binding to key targets like Tyrosyl-tRNA Synthetase (TyrRS) of <i>Staphylococcus aureus</i> (<i>S. aureus</i>), Aspartic proteinase from <i>Candida albicans</i> (<i>C. albicans</i>) and human peroxiredoxin 5. Pharmacokinetic analysis indicated good oral bioavailability, minimal CYP inhibition, and blood-brain barrier penetration, suggesting potential for treating neurodegenerative diseases. These bioactive compounds, including diosgenin and trigonelline, support fenugreek’s therapeutic promise and warrant further in vitro, in vivo, and clinical studies. <b>Conclusion:</b> The Saudi fenugreek cultivar is rich in bioactive compounds with good antibacterial potential. These findings establish a robust foundation for continued pharmacological research on the Saudi cultivar of <i>T. foenum-graecum</i>, highlighting its potential as a rich source of bioactive compounds with significant medicinal value.https://www.mdpi.com/1424-8247/17/12/1733anti-bacterial agentsfenugreekfungicomputational biologyin vitro studychemical composition |
| spellingShingle | Nujud A. M. Almuzaini Abdel Moneim E. Sulieman Naimah A. Alanazi Riadh Badraoui Emad M. Abdallah Mass Spectrometric Based Metabolomics of the Saudi Cultivar of Fenugreek (<i>Trigonella foenum-graecum</i> L.): A Combined GC-MS, Antimicrobial and Computational Approach Pharmaceuticals anti-bacterial agents fenugreek fungi computational biology in vitro study chemical composition |
| title | Mass Spectrometric Based Metabolomics of the Saudi Cultivar of Fenugreek (<i>Trigonella foenum-graecum</i> L.): A Combined GC-MS, Antimicrobial and Computational Approach |
| title_full | Mass Spectrometric Based Metabolomics of the Saudi Cultivar of Fenugreek (<i>Trigonella foenum-graecum</i> L.): A Combined GC-MS, Antimicrobial and Computational Approach |
| title_fullStr | Mass Spectrometric Based Metabolomics of the Saudi Cultivar of Fenugreek (<i>Trigonella foenum-graecum</i> L.): A Combined GC-MS, Antimicrobial and Computational Approach |
| title_full_unstemmed | Mass Spectrometric Based Metabolomics of the Saudi Cultivar of Fenugreek (<i>Trigonella foenum-graecum</i> L.): A Combined GC-MS, Antimicrobial and Computational Approach |
| title_short | Mass Spectrometric Based Metabolomics of the Saudi Cultivar of Fenugreek (<i>Trigonella foenum-graecum</i> L.): A Combined GC-MS, Antimicrobial and Computational Approach |
| title_sort | mass spectrometric based metabolomics of the saudi cultivar of fenugreek i trigonella foenum graecum i l a combined gc ms antimicrobial and computational approach |
| topic | anti-bacterial agents fenugreek fungi computational biology in vitro study chemical composition |
| url | https://www.mdpi.com/1424-8247/17/12/1733 |
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