GC-MS metabolites profiling of anethole-rich oils by different extraction techniques: antioxidant, cytotoxicity and in-silico enzymes inhibitory insights
GC-MS profiling and metabolomics study of anise and star anise oils obtained by hydrodistillation, n-hexane, and microwave-assisted extraction methods were conducted herein. Trans-anethole was the major phenylpropanoid in both oils. Principal component and hierarchical cluster analyses revealed a cl...
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| Format: | Article |
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Taylor & Francis Group
2022-12-01
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| Series: | Journal of Enzyme Inhibition and Medicinal Chemistry |
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| Online Access: | https://www.tandfonline.com/doi/10.1080/14756366.2022.2097445 |
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| author | Dina M. El-Kersh Nada M. Mostafa Shaimaa Fayez Tarfah Al-Warhi Mohammed A. S. Abourehab Wagdy M. Eldehna Mohamed A. Salem |
| author_facet | Dina M. El-Kersh Nada M. Mostafa Shaimaa Fayez Tarfah Al-Warhi Mohammed A. S. Abourehab Wagdy M. Eldehna Mohamed A. Salem |
| author_sort | Dina M. El-Kersh |
| collection | DOAJ |
| description | GC-MS profiling and metabolomics study of anise and star anise oils obtained by hydrodistillation, n-hexane, and microwave-assisted extraction methods were conducted herein. Trans-anethole was the major phenylpropanoid in both oils. Principal component and hierarchical cluster analyses revealed a clear separation of different extraction methods. Microwave-assisted star anise oil (MSA) revealed the highest anethole content (93.78%). MSA oil showed antioxidant activity using DPPH and ABTS assays, this was verified via an in-silico docking study of its major compounds on human tyrosinase and NAD(P)H oxidase. Trans-anethole displayed the best fitting scores (−8.9 and −10.1 Kcal/mole, respectively). MSA oil showed promising cytotoxic activity on different cell lines, mainly the cervical (HeLa) cell lines. Cell cycle inhibition at the G0–G1 phase was observed with an early apoptotic effect of the oil on HeLa cells. Trans-anethole achieved the best docking scores (−7.9, −9.3 and −9.9 Kcal/mole) for in-silico study on EGFR, CDK2 and CDK4 enzymes engaged in cancer, respectively. |
| format | Article |
| id | doaj-art-dacf8eddf21743c5824645b5f4cbdd12 |
| institution | OA Journals |
| issn | 1475-6366 1475-6374 |
| language | English |
| publishDate | 2022-12-01 |
| publisher | Taylor & Francis Group |
| record_format | Article |
| series | Journal of Enzyme Inhibition and Medicinal Chemistry |
| spelling | doaj-art-dacf8eddf21743c5824645b5f4cbdd122025-08-20T02:10:20ZengTaylor & Francis GroupJournal of Enzyme Inhibition and Medicinal Chemistry1475-63661475-63742022-12-013711974198610.1080/14756366.2022.2097445GC-MS metabolites profiling of anethole-rich oils by different extraction techniques: antioxidant, cytotoxicity and in-silico enzymes inhibitory insightsDina M. El-Kersh0Nada M. Mostafa1Shaimaa Fayez2Tarfah Al-Warhi3Mohammed A. S. Abourehab4Wagdy M. Eldehna5Mohamed A. Salem6Department of Pharmacognosy, Faculty of Pharmacy, The British University in Egypt (BUE), Cairo, EgyptDepartment of Pharmacognosy, Faculty of Pharmacy, Ain-Shams University, Cairo, EgyptDepartment of Pharmacognosy, Faculty of Pharmacy, Ain-Shams University, Cairo, EgyptDepartment of Chemistry, College of Science, Princess Nourah bint Abdulrahman University, Riyadh, Saudi ArabiaDepartment of Pharmaceutics Faculty of Pharmacy, Umm Al-Qura University, Makkah, Saudi ArabiaDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh, EgyptDepartment of Pharmacognosy and Natural products, Faculty of Pharmacy, Menoufia University, Menoufia, EgyptGC-MS profiling and metabolomics study of anise and star anise oils obtained by hydrodistillation, n-hexane, and microwave-assisted extraction methods were conducted herein. Trans-anethole was the major phenylpropanoid in both oils. Principal component and hierarchical cluster analyses revealed a clear separation of different extraction methods. Microwave-assisted star anise oil (MSA) revealed the highest anethole content (93.78%). MSA oil showed antioxidant activity using DPPH and ABTS assays, this was verified via an in-silico docking study of its major compounds on human tyrosinase and NAD(P)H oxidase. Trans-anethole displayed the best fitting scores (−8.9 and −10.1 Kcal/mole, respectively). MSA oil showed promising cytotoxic activity on different cell lines, mainly the cervical (HeLa) cell lines. Cell cycle inhibition at the G0–G1 phase was observed with an early apoptotic effect of the oil on HeLa cells. Trans-anethole achieved the best docking scores (−7.9, −9.3 and −9.9 Kcal/mole) for in-silico study on EGFR, CDK2 and CDK4 enzymes engaged in cancer, respectively.https://www.tandfonline.com/doi/10.1080/14756366.2022.2097445Essential oilsGC-MS profilingin-silico studymetabolomicsantioxidantcytotoxicity activity |
| spellingShingle | Dina M. El-Kersh Nada M. Mostafa Shaimaa Fayez Tarfah Al-Warhi Mohammed A. S. Abourehab Wagdy M. Eldehna Mohamed A. Salem GC-MS metabolites profiling of anethole-rich oils by different extraction techniques: antioxidant, cytotoxicity and in-silico enzymes inhibitory insights Journal of Enzyme Inhibition and Medicinal Chemistry Essential oils GC-MS profiling in-silico study metabolomics antioxidant cytotoxicity activity |
| title | GC-MS metabolites profiling of anethole-rich oils by different extraction techniques: antioxidant, cytotoxicity and in-silico enzymes inhibitory insights |
| title_full | GC-MS metabolites profiling of anethole-rich oils by different extraction techniques: antioxidant, cytotoxicity and in-silico enzymes inhibitory insights |
| title_fullStr | GC-MS metabolites profiling of anethole-rich oils by different extraction techniques: antioxidant, cytotoxicity and in-silico enzymes inhibitory insights |
| title_full_unstemmed | GC-MS metabolites profiling of anethole-rich oils by different extraction techniques: antioxidant, cytotoxicity and in-silico enzymes inhibitory insights |
| title_short | GC-MS metabolites profiling of anethole-rich oils by different extraction techniques: antioxidant, cytotoxicity and in-silico enzymes inhibitory insights |
| title_sort | gc ms metabolites profiling of anethole rich oils by different extraction techniques antioxidant cytotoxicity and in silico enzymes inhibitory insights |
| topic | Essential oils GC-MS profiling in-silico study metabolomics antioxidant cytotoxicity activity |
| url | https://www.tandfonline.com/doi/10.1080/14756366.2022.2097445 |
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