Chemical Profile of <i>Ruta graveolens</i>, Evaluation of the Antioxidant and Antibacterial Potential of Its Essential Oil, and Molecular Docking Simulations
The research aimed to investigate the chemical composition and antioxidant and antibacterial potential of the essential oil (EO) isolated from the aerial parts (flowers, leaves, and stems) of <i>Ruta graveolens</i> L., growing in western Romania. <i>Ruta graveolens</i> L. ess...
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| Format: | Article |
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MDPI AG
2021-12-01
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| Series: | Applied Sciences |
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| Online Access: | https://www.mdpi.com/2076-3417/11/24/11753 |
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| author | Călin Jianu Ionuț Goleț Daniela Stoin Ileana Cocan Gabriel Bujancă Corina Mișcă Marius Mioc Alexandra Mioc Codruța Șoica Alexandra Teodora Lukinich-Gruia Laura-Cristina Rusu Delia Muntean Delia Ioana Horhat |
| author_facet | Călin Jianu Ionuț Goleț Daniela Stoin Ileana Cocan Gabriel Bujancă Corina Mișcă Marius Mioc Alexandra Mioc Codruța Șoica Alexandra Teodora Lukinich-Gruia Laura-Cristina Rusu Delia Muntean Delia Ioana Horhat |
| author_sort | Călin Jianu |
| collection | DOAJ |
| description | The research aimed to investigate the chemical composition and antioxidant and antibacterial potential of the essential oil (EO) isolated from the aerial parts (flowers, leaves, and stems) of <i>Ruta graveolens</i> L., growing in western Romania. <i>Ruta graveolens</i> L. essential oil (RGEO) was isolated by steam distillation (0.29% <i>v</i>/<i>w</i>), and the content was assessed by gas chromatography-mass spectrometry (GC-MS). Findings revealed that 2-Undecanone (76.19%) and 2-Nonanone (7.83%) followed by 2-Undecanol (1.85%) and 2-Tridecanone (1.42%) are the main detected compounds of the oil. The RGEO exerted broad-spectrum antibacterial and antifungal effects, <i>S. pyogenes</i>, <i>S. aureus</i>, and <i>S. mutans</i> being the most susceptible tested strains. The antioxidant activity of RGEO was assessed by peroxide and thiobarbituric acid value, 1,1-diphenyl-2-picrylhydrazyl radical (DPPH), and <i>β</i>-carotene/linoleic acid bleaching testing. The results indicated moderate radical scavenging and relative antioxidative activity in DPPH and <i>β</i>-carotene bleaching tests. However, between the 8th and 16th days of the incubation period, the inhibition of primary oxidation compounds induced by the RGEO was significantly stronger (<i>p</i> < 0.001) than butylated hydroxyanisole (BHA). Molecular docking analysis highlighted that a potential antimicrobial mechanism of the RGEO could be exerted through the inhibition of D-Alanine-d-alanine ligase (DDl) by several RGEO components. Docking analysis also revealed that a high number RGEO components could exert a potential in vitro protein-targeted antioxidant effect through xanthine oxidase and lipoxygenase inhibition. Consequently, RGEO could be a new natural source of antiseptics and antioxidants, representing an option for the use of synthetic additives in the food and pharmaceutical industry. |
| first_indexed | 2024-03-10T04:37:21Z |
| format | Article |
| id | doaj.art-1865c86e7fec461ba2d37c5989de52d3 |
| institution | Directory Open Access Journal |
| issn | 2076-3417 |
| language | English |
| last_indexed | 2024-03-10T04:37:21Z |
| publishDate | 2021-12-01 |
| publisher | MDPI AG |
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| series | Applied Sciences |
| spelling | doaj.art-1865c86e7fec461ba2d37c5989de52d32023-11-23T03:37:47ZengMDPI AGApplied Sciences2076-34172021-12-0111241175310.3390/app112411753Chemical Profile of <i>Ruta graveolens</i>, Evaluation of the Antioxidant and Antibacterial Potential of Its Essential Oil, and Molecular Docking SimulationsCălin Jianu0Ionuț Goleț1Daniela Stoin2Ileana Cocan3Gabriel Bujancă4Corina Mișcă5Marius Mioc6Alexandra Mioc7Codruța Șoica8Alexandra Teodora Lukinich-Gruia9Laura-Cristina Rusu10Delia Muntean11Delia Ioana Horhat12Faculty of Food Engineering, Banat’s University of Agricultural Sciences and Veterinary Medicine “King Michael I of Romania”, 300645 Timișoara, RomaniaFaculty of Economics and Business Administration, West University of Timișoara, 300233 Timișoara, RomaniaFaculty of Food Engineering, Banat’s University of Agricultural Sciences and Veterinary Medicine “King Michael I of Romania”, 300645 Timișoara, RomaniaFaculty of Food Engineering, Banat’s University of Agricultural Sciences and Veterinary Medicine “King Michael I of Romania”, 300645 Timișoara, RomaniaFaculty of Food Engineering, Banat’s University of Agricultural Sciences and Veterinary Medicine “King Michael I of Romania”, 300645 Timișoara, RomaniaFaculty of Food Engineering, Banat’s University of Agricultural Sciences and Veterinary Medicine “King Michael I of Romania”, 300645 Timișoara, RomaniaFaculty of Pharmacy, “Victor Babeș” University of Medicine and Pharmacy, 300041 Timișoara, RomaniaFaculty of Pharmacy, “Victor Babeș” University of Medicine and Pharmacy, 300041 Timișoara, RomaniaFaculty of Pharmacy, “Victor Babeș” University of Medicine and Pharmacy, 300041 Timișoara, RomaniaOncoGen Centre, County Hospital “Pius Branzeu”, 300736 Timișoara, RomaniaFaculty of Dental Medicine, “Victor Babeș” University of Medicine and Pharmacy, 300041 Timișoara, RomaniaFaculty of Medicine, “Victor Babeș” University of Medicine and Pharmacy, 300041 Timișoara, RomaniaFaculty of Medicine, “Victor Babeș” University of Medicine and Pharmacy, 300041 Timișoara, RomaniaThe research aimed to investigate the chemical composition and antioxidant and antibacterial potential of the essential oil (EO) isolated from the aerial parts (flowers, leaves, and stems) of <i>Ruta graveolens</i> L., growing in western Romania. <i>Ruta graveolens</i> L. essential oil (RGEO) was isolated by steam distillation (0.29% <i>v</i>/<i>w</i>), and the content was assessed by gas chromatography-mass spectrometry (GC-MS). Findings revealed that 2-Undecanone (76.19%) and 2-Nonanone (7.83%) followed by 2-Undecanol (1.85%) and 2-Tridecanone (1.42%) are the main detected compounds of the oil. The RGEO exerted broad-spectrum antibacterial and antifungal effects, <i>S. pyogenes</i>, <i>S. aureus</i>, and <i>S. mutans</i> being the most susceptible tested strains. The antioxidant activity of RGEO was assessed by peroxide and thiobarbituric acid value, 1,1-diphenyl-2-picrylhydrazyl radical (DPPH), and <i>β</i>-carotene/linoleic acid bleaching testing. The results indicated moderate radical scavenging and relative antioxidative activity in DPPH and <i>β</i>-carotene bleaching tests. However, between the 8th and 16th days of the incubation period, the inhibition of primary oxidation compounds induced by the RGEO was significantly stronger (<i>p</i> < 0.001) than butylated hydroxyanisole (BHA). Molecular docking analysis highlighted that a potential antimicrobial mechanism of the RGEO could be exerted through the inhibition of D-Alanine-d-alanine ligase (DDl) by several RGEO components. Docking analysis also revealed that a high number RGEO components could exert a potential in vitro protein-targeted antioxidant effect through xanthine oxidase and lipoxygenase inhibition. Consequently, RGEO could be a new natural source of antiseptics and antioxidants, representing an option for the use of synthetic additives in the food and pharmaceutical industry.https://www.mdpi.com/2076-3417/11/24/11753<i>Ruta graveolens</i> L.essential oil2-undecanone2-nonanoneantimicrobial activityantioxidant activity |
| spellingShingle | Călin Jianu Ionuț Goleț Daniela Stoin Ileana Cocan Gabriel Bujancă Corina Mișcă Marius Mioc Alexandra Mioc Codruța Șoica Alexandra Teodora Lukinich-Gruia Laura-Cristina Rusu Delia Muntean Delia Ioana Horhat Chemical Profile of <i>Ruta graveolens</i>, Evaluation of the Antioxidant and Antibacterial Potential of Its Essential Oil, and Molecular Docking Simulations Applied Sciences <i>Ruta graveolens</i> L. essential oil 2-undecanone 2-nonanone antimicrobial activity antioxidant activity |
| title | Chemical Profile of <i>Ruta graveolens</i>, Evaluation of the Antioxidant and Antibacterial Potential of Its Essential Oil, and Molecular Docking Simulations |
| title_full | Chemical Profile of <i>Ruta graveolens</i>, Evaluation of the Antioxidant and Antibacterial Potential of Its Essential Oil, and Molecular Docking Simulations |
| title_fullStr | Chemical Profile of <i>Ruta graveolens</i>, Evaluation of the Antioxidant and Antibacterial Potential of Its Essential Oil, and Molecular Docking Simulations |
| title_full_unstemmed | Chemical Profile of <i>Ruta graveolens</i>, Evaluation of the Antioxidant and Antibacterial Potential of Its Essential Oil, and Molecular Docking Simulations |
| title_short | Chemical Profile of <i>Ruta graveolens</i>, Evaluation of the Antioxidant and Antibacterial Potential of Its Essential Oil, and Molecular Docking Simulations |
| title_sort | chemical profile of i ruta graveolens i evaluation of the antioxidant and antibacterial potential of its essential oil and molecular docking simulations |
| topic | <i>Ruta graveolens</i> L. essential oil 2-undecanone 2-nonanone antimicrobial activity antioxidant activity |
| url | https://www.mdpi.com/2076-3417/11/24/11753 |
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