GC/MS Profiling, Antibacterial, Anti-Quorum Sensing, and Antibiofilm Properties of <i>Anethum graveolens</i> L. Essential Oil: Molecular Docking Study and In-Silico ADME Profiling
<i>Anethum graveolens</i> L. has been known as an aromatic, medicinal, and culinary herb since ancient times. The main purpose of this study was to determine the chemical composition, antibacterial, antibiofilm, and anti-quorum sensing activities of the essential oil (EO) obtained by hyd...
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MDPI AG
2023-05-01
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| Series: | Plants |
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| Online Access: | https://www.mdpi.com/2223-7747/12/10/1997 |
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| author | Emira Noumi Iqrar Ahmad Mohd Adnan Abderrahmen Merghni Harun Patel Najla Haddaji Nouha Bouali Khulood Fahad Alabbosh Siwar Ghannay Kaïss Aouadi Adel Kadri Flavio Polito Mejdi Snoussi Vincenzo De Feo |
| author_facet | Emira Noumi Iqrar Ahmad Mohd Adnan Abderrahmen Merghni Harun Patel Najla Haddaji Nouha Bouali Khulood Fahad Alabbosh Siwar Ghannay Kaïss Aouadi Adel Kadri Flavio Polito Mejdi Snoussi Vincenzo De Feo |
| author_sort | Emira Noumi |
| collection | DOAJ |
| description | <i>Anethum graveolens</i> L. has been known as an aromatic, medicinal, and culinary herb since ancient times. The main purpose of this study was to determine the chemical composition, antibacterial, antibiofilm, and anti-quorum sensing activities of the essential oil (EO) obtained by hydro-distillation of the aerial parts. Twelve components were identified, representing 92.55% of the analyzed essential oil. Limonene (48.05%), carvone (37.94%), cis-dihydrocarvone (3.5%), and trans-carvone (1.07%) were the main identified constituents. Results showed that the obtained EO was effective against eight bacterial strains at different degrees. Concerning the antibiofilm activity, limonene was more effective against biofilm formation than the essential oil when tested using sub-inhibitory concentrations. The results of anti-swarming activity tested against <i>P</i>. <i>aeruginosa</i> PAO1 revealed that <i>A. graveolens</i> induced more potent inhibitory effects in the swarming behavior of the PAO1 strain when compared to limonene, with a percentage reaching 33.33% at a concentration of 100 µg/mL. The ADME profiling of the identified phytocompounds confirms their important pharmacokinetic and drug-like properties. The in-silico study using molecular docking approaches reveals a high binding score between the identified compounds and known target enzymes involved in antibacterial and anti-quorum sensing (QS) activities. Overall, the obtained results highlight the possible use of <i>A. graveolens</i> EO to prevent food contamination with foodborne pathogenic bacteria. |
| first_indexed | 2024-03-11T03:23:54Z |
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| issn | 2223-7747 |
| language | English |
| last_indexed | 2024-03-11T03:23:54Z |
| publishDate | 2023-05-01 |
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| record_format | Article |
| series | Plants |
| spelling | doaj.art-e3a656ba8d504ad281d6c8d367658ba22023-11-18T02:56:09ZengMDPI AGPlants2223-77472023-05-011210199710.3390/plants12101997GC/MS Profiling, Antibacterial, Anti-Quorum Sensing, and Antibiofilm Properties of <i>Anethum graveolens</i> L. Essential Oil: Molecular Docking Study and In-Silico ADME ProfilingEmira Noumi0Iqrar Ahmad1Mohd Adnan2Abderrahmen Merghni3Harun Patel4Najla Haddaji5Nouha Bouali6Khulood Fahad Alabbosh7Siwar Ghannay8Kaïss Aouadi9Adel Kadri10Flavio Polito11Mejdi Snoussi12Vincenzo De Feo13Department of Biology, College of Science, University of Hail, P.O. Box 2440, Hail 81451, Saudi ArabiaDepartment of Pharmaceutical Chemistry, Prof. Ravindra Nikam College of Pharmacy, Gondur, Dhule 424002, Maharashtra, IndiaDepartment of Biology, College of Science, University of Hail, P.O. Box 2440, Hail 81451, Saudi ArabiaLaboratory of Antimicrobial Resistance LR99ES09, Faculty of Medicine of Tunis, University of Tunis El Manar, Tunis 1068, TunisiaDivision of Computer Aided Drug Design, Department of Pharmaceutical Chemistry, R. C. Patel Institute of Pharmaceutical Education and Research, Shirpur 425405, Maharashtra, IndiaDepartment of Biology, College of Science, University of Hail, P.O. Box 2440, Hail 81451, Saudi ArabiaDepartment of Biology, College of Science, University of Hail, P.O. Box 2440, Hail 81451, Saudi ArabiaDepartment of Biology, College of Science, University of Hail, P.O. Box 2440, Hail 81451, Saudi ArabiaDepartment of Chemistry, College of Science, Qassim University, P.O. Box 6688, Buraidah 51452, Saudi ArabiaDepartment of Chemistry, College of Science, Qassim University, P.O. Box 6688, Buraidah 51452, Saudi ArabiaCollege of Science and Arts in Baljurashi, Al Baha University, P.O. Box 1988, Albaha 65527, Saudi ArabiaDepartment of Pharmacy, University of Salerno, Via Giovanni Paolo II, 132, 84084 Salerno, ItalyDepartment of Biology, College of Science, University of Hail, P.O. Box 2440, Hail 81451, Saudi ArabiaDepartment of Pharmacy, University of Salerno, Via Giovanni Paolo II, 132, 84084 Salerno, Italy<i>Anethum graveolens</i> L. has been known as an aromatic, medicinal, and culinary herb since ancient times. The main purpose of this study was to determine the chemical composition, antibacterial, antibiofilm, and anti-quorum sensing activities of the essential oil (EO) obtained by hydro-distillation of the aerial parts. Twelve components were identified, representing 92.55% of the analyzed essential oil. Limonene (48.05%), carvone (37.94%), cis-dihydrocarvone (3.5%), and trans-carvone (1.07%) were the main identified constituents. Results showed that the obtained EO was effective against eight bacterial strains at different degrees. Concerning the antibiofilm activity, limonene was more effective against biofilm formation than the essential oil when tested using sub-inhibitory concentrations. The results of anti-swarming activity tested against <i>P</i>. <i>aeruginosa</i> PAO1 revealed that <i>A. graveolens</i> induced more potent inhibitory effects in the swarming behavior of the PAO1 strain when compared to limonene, with a percentage reaching 33.33% at a concentration of 100 µg/mL. The ADME profiling of the identified phytocompounds confirms their important pharmacokinetic and drug-like properties. The in-silico study using molecular docking approaches reveals a high binding score between the identified compounds and known target enzymes involved in antibacterial and anti-quorum sensing (QS) activities. Overall, the obtained results highlight the possible use of <i>A. graveolens</i> EO to prevent food contamination with foodborne pathogenic bacteria.https://www.mdpi.com/2223-7747/12/10/1997<i>Anethum graveolens</i> L.essential oilchemical compositionpathogenic bacteriaantibiofilmpharmacokinetics |
| spellingShingle | Emira Noumi Iqrar Ahmad Mohd Adnan Abderrahmen Merghni Harun Patel Najla Haddaji Nouha Bouali Khulood Fahad Alabbosh Siwar Ghannay Kaïss Aouadi Adel Kadri Flavio Polito Mejdi Snoussi Vincenzo De Feo GC/MS Profiling, Antibacterial, Anti-Quorum Sensing, and Antibiofilm Properties of <i>Anethum graveolens</i> L. Essential Oil: Molecular Docking Study and In-Silico ADME Profiling Plants <i>Anethum graveolens</i> L. essential oil chemical composition pathogenic bacteria antibiofilm pharmacokinetics |
| title | GC/MS Profiling, Antibacterial, Anti-Quorum Sensing, and Antibiofilm Properties of <i>Anethum graveolens</i> L. Essential Oil: Molecular Docking Study and In-Silico ADME Profiling |
| title_full | GC/MS Profiling, Antibacterial, Anti-Quorum Sensing, and Antibiofilm Properties of <i>Anethum graveolens</i> L. Essential Oil: Molecular Docking Study and In-Silico ADME Profiling |
| title_fullStr | GC/MS Profiling, Antibacterial, Anti-Quorum Sensing, and Antibiofilm Properties of <i>Anethum graveolens</i> L. Essential Oil: Molecular Docking Study and In-Silico ADME Profiling |
| title_full_unstemmed | GC/MS Profiling, Antibacterial, Anti-Quorum Sensing, and Antibiofilm Properties of <i>Anethum graveolens</i> L. Essential Oil: Molecular Docking Study and In-Silico ADME Profiling |
| title_short | GC/MS Profiling, Antibacterial, Anti-Quorum Sensing, and Antibiofilm Properties of <i>Anethum graveolens</i> L. Essential Oil: Molecular Docking Study and In-Silico ADME Profiling |
| title_sort | gc ms profiling antibacterial anti quorum sensing and antibiofilm properties of i anethum graveolens i l essential oil molecular docking study and in silico adme profiling |
| topic | <i>Anethum graveolens</i> L. essential oil chemical composition pathogenic bacteria antibiofilm pharmacokinetics |
| url | https://www.mdpi.com/2223-7747/12/10/1997 |
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