Phytochemical and In Silico ADME/Tox Analysis of <i>Eruca sativa</i> Extract with Antioxidant, Antibacterial and Anticancer Potential against Caco-2 and HCT-116 Colorectal Carcinoma Cell Lines
<i>Eruca sativa</i> Mill. (<i>E. sativa</i>) leaves recently grabbed the attention of scientific communities around the world due to its potent bioactivity. Therefore, the present study investigates the metabolite profiling of the ethanolic crude extract of <i>E. sativa...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-02-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/4/1409 |
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| author | Amir Mahgoub Awadelkareem Eyad Al-Shammari Abd Elmoneim O. Elkhalifa Mohd Adnan Arif Jamal Siddiqui Mejdi Snoussi Mohammad Idreesh Khan Z R Azaz Ahmad Azad Mitesh Patel Syed Amir Ashraf |
| author_facet | Amir Mahgoub Awadelkareem Eyad Al-Shammari Abd Elmoneim O. Elkhalifa Mohd Adnan Arif Jamal Siddiqui Mejdi Snoussi Mohammad Idreesh Khan Z R Azaz Ahmad Azad Mitesh Patel Syed Amir Ashraf |
| author_sort | Amir Mahgoub Awadelkareem |
| collection | DOAJ |
| description | <i>Eruca sativa</i> Mill. (<i>E. sativa</i>) leaves recently grabbed the attention of scientific communities around the world due to its potent bioactivity. Therefore, the present study investigates the metabolite profiling of the ethanolic crude extract of <i>E. sativa</i> leaves using high resolution-liquid chromatography-mass spectrometry (HR-LC/MS), including antibacterial, antioxidant and anticancer potential against human colorectal carcinoma cell lines. In addition, computer-aided analysis was performed for determining the pharmacokinetic properties and toxicity prediction of the identified compounds. Our results show that <i>E. sativa</i> contains several bioactive compounds, such as vitamins, fatty acids, alkaloids, flavonoids, terpenoids and phenols. Furthermore, the antibacterial assay of <i>E. sativa</i> extract showed inhibitory effects of the tested pathogenic bacterial strains. Moreover, the antioxidant activity of 2,2-diphenyl-1-picrylhydrazyl (DPPH) and hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) were found to be IC<sub>50</sub> = 66.16 μg/mL and 76.05 μg/mL, respectively. <i>E. sativa</i> also showed promising anticancer activity against both the colorectal cancer cells HCT-116 (IC<sub>50</sub> = 64.91 μg/mL) and Caco-2 (IC<sub>50</sub> = 83.98 μg/mL) in a dose/time dependent manner. The phytoconstituents identified showed promising pharmacokinetics properties, representing a valuable source for drug or nutraceutical development. These investigations will lead to the further exploration as well as development of <i>E. sativa</i>-based nutraceutical products. |
| first_indexed | 2024-03-09T21:19:42Z |
| format | Article |
| id | doaj.art-55d2d5fe7ceb426591c8e2f4720a8d15 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T21:19:42Z |
| publishDate | 2022-02-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-55d2d5fe7ceb426591c8e2f4720a8d152023-11-23T21:23:33ZengMDPI AGMolecules1420-30492022-02-01274140910.3390/molecules27041409Phytochemical and In Silico ADME/Tox Analysis of <i>Eruca sativa</i> Extract with Antioxidant, Antibacterial and Anticancer Potential against Caco-2 and HCT-116 Colorectal Carcinoma Cell LinesAmir Mahgoub Awadelkareem0Eyad Al-Shammari1Abd Elmoneim O. Elkhalifa2Mohd Adnan3Arif Jamal Siddiqui4Mejdi Snoussi5Mohammad Idreesh Khan6Z R Azaz Ahmad Azad7Mitesh Patel8Syed Amir Ashraf9Department of Clinical Nutrition, College of Applied Medical Sciences, University of Hail, Hail P.O. Box 2440, Saudi ArabiaDepartment of Clinical Nutrition, College of Applied Medical Sciences, University of Hail, Hail P.O. Box 2440, Saudi ArabiaDepartment of Clinical Nutrition, College of Applied Medical Sciences, University of Hail, Hail P.O. Box 2440, Saudi ArabiaDepartment of Biology, College of Science, University of Hail, Hail P.O. Box 2440, Saudi ArabiaDepartment of Biology, College of Science, University of Hail, Hail P.O. Box 2440, Saudi ArabiaDepartment of Biology, College of Science, University of Hail, Hail P.O. Box 2440, Saudi ArabiaDepartment of Clinical Nutrition, College of Applied Health Sciences in Arras, Qassim University, Buraydah 52571, Saudi ArabiaDepartment of Post-Harvest Engineering and Technology, Aligarh Muslim University, Aligarh 202002, IndiaBapalal Vaidya Botanical Research Centre, Department of Biosciences, Veer Narmad South Gujarat University, Surat 395007, IndiaDepartment of Clinical Nutrition, College of Applied Medical Sciences, University of Hail, Hail P.O. Box 2440, Saudi Arabia<i>Eruca sativa</i> Mill. (<i>E. sativa</i>) leaves recently grabbed the attention of scientific communities around the world due to its potent bioactivity. Therefore, the present study investigates the metabolite profiling of the ethanolic crude extract of <i>E. sativa</i> leaves using high resolution-liquid chromatography-mass spectrometry (HR-LC/MS), including antibacterial, antioxidant and anticancer potential against human colorectal carcinoma cell lines. In addition, computer-aided analysis was performed for determining the pharmacokinetic properties and toxicity prediction of the identified compounds. Our results show that <i>E. sativa</i> contains several bioactive compounds, such as vitamins, fatty acids, alkaloids, flavonoids, terpenoids and phenols. Furthermore, the antibacterial assay of <i>E. sativa</i> extract showed inhibitory effects of the tested pathogenic bacterial strains. Moreover, the antioxidant activity of 2,2-diphenyl-1-picrylhydrazyl (DPPH) and hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) were found to be IC<sub>50</sub> = 66.16 μg/mL and 76.05 μg/mL, respectively. <i>E. sativa</i> also showed promising anticancer activity against both the colorectal cancer cells HCT-116 (IC<sub>50</sub> = 64.91 μg/mL) and Caco-2 (IC<sub>50</sub> = 83.98 μg/mL) in a dose/time dependent manner. The phytoconstituents identified showed promising pharmacokinetics properties, representing a valuable source for drug or nutraceutical development. These investigations will lead to the further exploration as well as development of <i>E. sativa</i>-based nutraceutical products.https://www.mdpi.com/1420-3049/27/4/1409<i>Eruca sativa</i>jarjeercolorectal cancerphytochemical analysisbioactive compoundserucin |
| spellingShingle | Amir Mahgoub Awadelkareem Eyad Al-Shammari Abd Elmoneim O. Elkhalifa Mohd Adnan Arif Jamal Siddiqui Mejdi Snoussi Mohammad Idreesh Khan Z R Azaz Ahmad Azad Mitesh Patel Syed Amir Ashraf Phytochemical and In Silico ADME/Tox Analysis of <i>Eruca sativa</i> Extract with Antioxidant, Antibacterial and Anticancer Potential against Caco-2 and HCT-116 Colorectal Carcinoma Cell Lines Molecules <i>Eruca sativa</i> jarjeer colorectal cancer phytochemical analysis bioactive compounds erucin |
| title | Phytochemical and In Silico ADME/Tox Analysis of <i>Eruca sativa</i> Extract with Antioxidant, Antibacterial and Anticancer Potential against Caco-2 and HCT-116 Colorectal Carcinoma Cell Lines |
| title_full | Phytochemical and In Silico ADME/Tox Analysis of <i>Eruca sativa</i> Extract with Antioxidant, Antibacterial and Anticancer Potential against Caco-2 and HCT-116 Colorectal Carcinoma Cell Lines |
| title_fullStr | Phytochemical and In Silico ADME/Tox Analysis of <i>Eruca sativa</i> Extract with Antioxidant, Antibacterial and Anticancer Potential against Caco-2 and HCT-116 Colorectal Carcinoma Cell Lines |
| title_full_unstemmed | Phytochemical and In Silico ADME/Tox Analysis of <i>Eruca sativa</i> Extract with Antioxidant, Antibacterial and Anticancer Potential against Caco-2 and HCT-116 Colorectal Carcinoma Cell Lines |
| title_short | Phytochemical and In Silico ADME/Tox Analysis of <i>Eruca sativa</i> Extract with Antioxidant, Antibacterial and Anticancer Potential against Caco-2 and HCT-116 Colorectal Carcinoma Cell Lines |
| title_sort | phytochemical and in silico adme tox analysis of i eruca sativa i extract with antioxidant antibacterial and anticancer potential against caco 2 and hct 116 colorectal carcinoma cell lines |
| topic | <i>Eruca sativa</i> jarjeer colorectal cancer phytochemical analysis bioactive compounds erucin |
| url | https://www.mdpi.com/1420-3049/27/4/1409 |
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