Unveiling the chemical composition, antioxidant and antibacterial properties, and mechanistic insights of Convolvulus arvensis extract through molecular docking simulations
The use of herbal extracts has gained significant importance in modern health practices, making it essential to explore their properties and applications in detail. This study investigates the effect of ultrasound on the extraction yield of Convolvulus arvensis leaves, with a focus on its chemical c...
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Elsevier
2024-12-01
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| Series: | Applied Food Research |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2772502224001902 |
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| author | Fatemeh Mosallaie Motahare Pirnia Zahra Dehghan Fereshteh Falah Reihaneh Sabbaghzadeh Behrooz Alizadeh Behbahani Fahimeh Lavi Arab Farideh Tabatabaei Yazdi Alireza Vasiee |
| author_facet | Fatemeh Mosallaie Motahare Pirnia Zahra Dehghan Fereshteh Falah Reihaneh Sabbaghzadeh Behrooz Alizadeh Behbahani Fahimeh Lavi Arab Farideh Tabatabaei Yazdi Alireza Vasiee |
| author_sort | Fatemeh Mosallaie |
| collection | DOAJ |
| description | The use of herbal extracts has gained significant importance in modern health practices, making it essential to explore their properties and applications in detail. This study investigates the effect of ultrasound on the extraction yield of Convolvulus arvensis leaves, with a focus on its chemical composition, antioxidant properties, cytotoxicity, antimicrobial activities, and mechanism of action. Antimicrobial activity was determined using minimum inhibitory concentration (MIC), minimum bactericidal concentration (MBC), well diffusion agar, and disk diffusion agar assays. The antioxidant properties were assessed through ferric reducing antioxidant power (FRAP) and DPPH free radical scavenging assays. High Performance Liquid Chromatography (HPLC) and Fourier transform infrared (FTIR) spectroscopy were utilized to identify the chemical composition and functional groups present in the extract. The findings revealed that ultrasound-assisted extraction exhibited significantly higher extraction efficiency (p < 0.05). The extract displayed significant antimicrobial activity against Listeria innocua, Pseudomonas aeruginosa, Escherichia coli, and Staphylococcus aureus. The total phenolic and total flavonoid contents of the extract were measured at 328.85 ± 0.046 (mg GAE/100 g) and 226.23 ± 0.043 (mg QE/100 g), respectively. Moreover, the extract demonstrated notable radical scavenging activity against DPPH, with a value of 37.40 ± 0.111 (g/100 g). The FRAP assay revealed that the antioxidant activity of C. arvensis extract was quantified at 23.796 ± 0.045 μmol Fe²⁺. The highest amount of phenolic and alkaloid compounds in the extract was related to β-Phellandrene (341.52 µg/mL) and Swainsonine (360.24 µg/mL), respectively. Furthermore, the in vitro cytotoxic activity of the extract was evaluated against the Caco-2 cell line, with the IC50 value determined to be 26.55 mg/mL. The results of the docking study demonstrated that Ferulic acid displayed a significant binding energy of −6.2 kcal/mol, suggesting a robust interaction with the target enzyme and the potential to act as a modulator of glutathione peroxidases. The findings of the present study revealed that the alcoholic extract of C. arvensis possesses proper antioxidant and antimicrobial activities. Therefore, it has been used as a food preservative. However, further medical and clinical researches are required before any application in human health. |
| format | Article |
| id | doaj-art-eee53aa0e12d4882a09b6bb29a7b4e75 |
| institution | Kabale University |
| issn | 2772-5022 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Applied Food Research |
| spelling | doaj-art-eee53aa0e12d4882a09b6bb29a7b4e752024-12-18T08:54:49ZengElsevierApplied Food Research2772-50222024-12-0142100580Unveiling the chemical composition, antioxidant and antibacterial properties, and mechanistic insights of Convolvulus arvensis extract through molecular docking simulationsFatemeh Mosallaie0Motahare Pirnia1Zahra Dehghan2Fereshteh Falah3Reihaneh Sabbaghzadeh4Behrooz Alizadeh Behbahani5Fahimeh Lavi Arab6Farideh Tabatabaei Yazdi7Alireza Vasiee8Department of Food Science and Technology, Faculty of Agriculture, Ferdowsi University of Mashhad, Mashhad, IranDepartment of Food Science and Technology, Faculty of Agriculture, Ferdowsi University of Mashhad, Mashhad, IranDepartment of Food Science and Technology, Faculty of Agriculture, Ferdowsi University of Mashhad, Mashhad, IranDepartment of Food Science and Technology, Faculty of Agriculture, Ferdowsi University of Mashhad, Mashhad, IranDepartment of Biology, Faculty of Science, Hakim Sabzevari University, Sabzevar, IranDepartment of Food Science and Technology, Faculty of Animal Science and Food Technology, Agricultural Sciences and Natural Resources University of Khuzestan, Mollasani, IranDepartment of Immunology, Faculty of Medicine, Mashhad University of Medical Sciences, Mashhad, Iran; Immunology Research Center, Mashhad University of Medical Sciences, Mashhad, IranDepartment of Food Science and Technology, Faculty of Agriculture, Ferdowsi University of Mashhad, Mashhad, Iran; Corresponding authors.Department of Food Safety and Quality Control, Research Institute of Food Science and Technology (RIFST), Mashhad, Iran; Corresponding authors.The use of herbal extracts has gained significant importance in modern health practices, making it essential to explore their properties and applications in detail. This study investigates the effect of ultrasound on the extraction yield of Convolvulus arvensis leaves, with a focus on its chemical composition, antioxidant properties, cytotoxicity, antimicrobial activities, and mechanism of action. Antimicrobial activity was determined using minimum inhibitory concentration (MIC), minimum bactericidal concentration (MBC), well diffusion agar, and disk diffusion agar assays. The antioxidant properties were assessed through ferric reducing antioxidant power (FRAP) and DPPH free radical scavenging assays. High Performance Liquid Chromatography (HPLC) and Fourier transform infrared (FTIR) spectroscopy were utilized to identify the chemical composition and functional groups present in the extract. The findings revealed that ultrasound-assisted extraction exhibited significantly higher extraction efficiency (p < 0.05). The extract displayed significant antimicrobial activity against Listeria innocua, Pseudomonas aeruginosa, Escherichia coli, and Staphylococcus aureus. The total phenolic and total flavonoid contents of the extract were measured at 328.85 ± 0.046 (mg GAE/100 g) and 226.23 ± 0.043 (mg QE/100 g), respectively. Moreover, the extract demonstrated notable radical scavenging activity against DPPH, with a value of 37.40 ± 0.111 (g/100 g). The FRAP assay revealed that the antioxidant activity of C. arvensis extract was quantified at 23.796 ± 0.045 μmol Fe²⁺. The highest amount of phenolic and alkaloid compounds in the extract was related to β-Phellandrene (341.52 µg/mL) and Swainsonine (360.24 µg/mL), respectively. Furthermore, the in vitro cytotoxic activity of the extract was evaluated against the Caco-2 cell line, with the IC50 value determined to be 26.55 mg/mL. The results of the docking study demonstrated that Ferulic acid displayed a significant binding energy of −6.2 kcal/mol, suggesting a robust interaction with the target enzyme and the potential to act as a modulator of glutathione peroxidases. The findings of the present study revealed that the alcoholic extract of C. arvensis possesses proper antioxidant and antimicrobial activities. Therefore, it has been used as a food preservative. However, further medical and clinical researches are required before any application in human health.http://www.sciencedirect.com/science/article/pii/S2772502224001902Antimicrobial activityAntioxidant activityConvolvulus arvensisMolecular dockingPhytocompounds |
| spellingShingle | Fatemeh Mosallaie Motahare Pirnia Zahra Dehghan Fereshteh Falah Reihaneh Sabbaghzadeh Behrooz Alizadeh Behbahani Fahimeh Lavi Arab Farideh Tabatabaei Yazdi Alireza Vasiee Unveiling the chemical composition, antioxidant and antibacterial properties, and mechanistic insights of Convolvulus arvensis extract through molecular docking simulations Applied Food Research Antimicrobial activity Antioxidant activity Convolvulus arvensis Molecular docking Phytocompounds |
| title | Unveiling the chemical composition, antioxidant and antibacterial properties, and mechanistic insights of Convolvulus arvensis extract through molecular docking simulations |
| title_full | Unveiling the chemical composition, antioxidant and antibacterial properties, and mechanistic insights of Convolvulus arvensis extract through molecular docking simulations |
| title_fullStr | Unveiling the chemical composition, antioxidant and antibacterial properties, and mechanistic insights of Convolvulus arvensis extract through molecular docking simulations |
| title_full_unstemmed | Unveiling the chemical composition, antioxidant and antibacterial properties, and mechanistic insights of Convolvulus arvensis extract through molecular docking simulations |
| title_short | Unveiling the chemical composition, antioxidant and antibacterial properties, and mechanistic insights of Convolvulus arvensis extract through molecular docking simulations |
| title_sort | unveiling the chemical composition antioxidant and antibacterial properties and mechanistic insights of convolvulus arvensis extract through molecular docking simulations |
| topic | Antimicrobial activity Antioxidant activity Convolvulus arvensis Molecular docking Phytocompounds |
| url | http://www.sciencedirect.com/science/article/pii/S2772502224001902 |
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