Antifungal, Insecticidal, and Repellent Activities of Rosmarinus officinalis Essential Oil and Molecular Docking of Its Constituents against Acetylcholinesterase and β-Tubulin
The aim of this study was to determine the phytochemical composition and evaluate the antifungal and insecticidal properties of Rosmarinus officinalis essential oil (EO). GC-MS was employed to analyze the phytochemical profile of the EO. The antifungal activity of the EO was assessed by calculating...
Saved in:
| Main Authors: | , , , , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2024-01-01
|
| Series: | Scientifica |
| Online Access: | http://dx.doi.org/10.1155/2024/5558041 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1841564364785582080 |
|---|---|
| author | Ghizlane Houzi Youness El abdali Ghada Beniaich Mohamed Chebaibi Mohamed Taibi Amine Elbouzidi Samiha Kaioua Abdeslam Asehraou Mohamed Addi Khalid Chaabane Rachid Flouchi Aimad Allali Soad Khal-Layoun |
| author_facet | Ghizlane Houzi Youness El abdali Ghada Beniaich Mohamed Chebaibi Mohamed Taibi Amine Elbouzidi Samiha Kaioua Abdeslam Asehraou Mohamed Addi Khalid Chaabane Rachid Flouchi Aimad Allali Soad Khal-Layoun |
| author_sort | Ghizlane Houzi |
| collection | DOAJ |
| description | The aim of this study was to determine the phytochemical composition and evaluate the antifungal and insecticidal properties of Rosmarinus officinalis essential oil (EO). GC-MS was employed to analyze the phytochemical profile of the EO. The antifungal activity of the EO was assessed by calculating growth inhibition rates for Alternaria alternata, Fusarium oxysporum, and Botrytis cinerea. Repellent capacity and toxicity were evaluated through inhalation and contact tests on Callosobruchus maculatus. Molecular docking techniques were utilized to test the insecticidal and antifungal activities of rosemary EO. The analysis revealed a total of sixteen components in R. officinalis EO, with 1,8-cineole (40.80%) being the major constituent, followed by α-pinene (26.18%) and camphor (19.53%). Antifungal evaluation demonstrated a significant inhibitory impact on the mycelial growth of the tested fungi, with complete inhibition observed against B. cinerea. In terms of insecticidal capacity, the EO induced complete mortality of C. maculatus adults at a concentration of 1 μL/L air, with an inhalation test LC50 value of 0.62 μL/L air. Concentration-dependent reductions were observed in the number of both laid eggs and emerged insects, reaching a 99.36% reduction. The EO also exhibited a moderate effectiveness in repelling insects, with an average repellency rate of 50.83%. In silico analysis identified borneol as the most active molecule against insect acetylcholinesterase (PDB: 6ARY) with a Glide score of −7.254 kcal/mol. α-Caryophyllene showed the highest activity against B. cinerea β-tubulin (PDB: 3N2G) with a Glide score of −7.025 kcal/mol. These findings suggest that the EO derived from Moroccan Rosmarinus officinalis has potential as an effective natural agent against pathogenic fungi and could serve as a sustainable and environmentally friendly alternative as a bioinsecticide. |
| format | Article |
| id | doaj-art-fe2ebc3b1292434fa07705bcc79ecef6 |
| institution | Kabale University |
| issn | 2090-908X |
| language | English |
| publishDate | 2024-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Scientifica |
| spelling | doaj-art-fe2ebc3b1292434fa07705bcc79ecef62025-01-02T22:52:39ZengWileyScientifica2090-908X2024-01-01202410.1155/2024/5558041Antifungal, Insecticidal, and Repellent Activities of Rosmarinus officinalis Essential Oil and Molecular Docking of Its Constituents against Acetylcholinesterase and β-TubulinGhizlane Houzi0Youness El abdali1Ghada Beniaich2Mohamed Chebaibi3Mohamed Taibi4Amine Elbouzidi5Samiha Kaioua6Abdeslam Asehraou7Mohamed Addi8Khalid Chaabane9Rachid Flouchi10Aimad Allali11Soad Khal-Layoun12Laboratory of Biology and HealthLaboratory of Biotechnology, Environment, Agri-Food and HealthLaboratory of Engineering, Electrochemistry, Modeling and Environment (LIEME)Higher Institute of Nursing Professions and Health TechniquesLaboratoire d’Amélioration des Productions Agricoles, Biotechnologie et Environnement (LAPABE)Laboratoire d’Amélioration des Productions Agricoles, Biotechnologie et Environnement (LAPABE)Laboratory of Plant, Animal and Agro-Industry ProductionsLaboratory of Bioresources, Biotechnology, Ethnopharmacology and HealthLaboratoire d’Amélioration des Productions Agricoles, Biotechnologie et Environnement (LAPABE)Laboratoire d’Amélioration des Productions Agricoles, Biotechnologie et Environnement (LAPABE)Ministry of Health and Social ProtectionLaboratory of Engineering, Electrochemistry, Modeling and Environment (LIEME)Laboratory of Biology and HealthThe aim of this study was to determine the phytochemical composition and evaluate the antifungal and insecticidal properties of Rosmarinus officinalis essential oil (EO). GC-MS was employed to analyze the phytochemical profile of the EO. The antifungal activity of the EO was assessed by calculating growth inhibition rates for Alternaria alternata, Fusarium oxysporum, and Botrytis cinerea. Repellent capacity and toxicity were evaluated through inhalation and contact tests on Callosobruchus maculatus. Molecular docking techniques were utilized to test the insecticidal and antifungal activities of rosemary EO. The analysis revealed a total of sixteen components in R. officinalis EO, with 1,8-cineole (40.80%) being the major constituent, followed by α-pinene (26.18%) and camphor (19.53%). Antifungal evaluation demonstrated a significant inhibitory impact on the mycelial growth of the tested fungi, with complete inhibition observed against B. cinerea. In terms of insecticidal capacity, the EO induced complete mortality of C. maculatus adults at a concentration of 1 μL/L air, with an inhalation test LC50 value of 0.62 μL/L air. Concentration-dependent reductions were observed in the number of both laid eggs and emerged insects, reaching a 99.36% reduction. The EO also exhibited a moderate effectiveness in repelling insects, with an average repellency rate of 50.83%. In silico analysis identified borneol as the most active molecule against insect acetylcholinesterase (PDB: 6ARY) with a Glide score of −7.254 kcal/mol. α-Caryophyllene showed the highest activity against B. cinerea β-tubulin (PDB: 3N2G) with a Glide score of −7.025 kcal/mol. These findings suggest that the EO derived from Moroccan Rosmarinus officinalis has potential as an effective natural agent against pathogenic fungi and could serve as a sustainable and environmentally friendly alternative as a bioinsecticide.http://dx.doi.org/10.1155/2024/5558041 |
| spellingShingle | Ghizlane Houzi Youness El abdali Ghada Beniaich Mohamed Chebaibi Mohamed Taibi Amine Elbouzidi Samiha Kaioua Abdeslam Asehraou Mohamed Addi Khalid Chaabane Rachid Flouchi Aimad Allali Soad Khal-Layoun Antifungal, Insecticidal, and Repellent Activities of Rosmarinus officinalis Essential Oil and Molecular Docking of Its Constituents against Acetylcholinesterase and β-Tubulin Scientifica |
| title | Antifungal, Insecticidal, and Repellent Activities of Rosmarinus officinalis Essential Oil and Molecular Docking of Its Constituents against Acetylcholinesterase and β-Tubulin |
| title_full | Antifungal, Insecticidal, and Repellent Activities of Rosmarinus officinalis Essential Oil and Molecular Docking of Its Constituents against Acetylcholinesterase and β-Tubulin |
| title_fullStr | Antifungal, Insecticidal, and Repellent Activities of Rosmarinus officinalis Essential Oil and Molecular Docking of Its Constituents against Acetylcholinesterase and β-Tubulin |
| title_full_unstemmed | Antifungal, Insecticidal, and Repellent Activities of Rosmarinus officinalis Essential Oil and Molecular Docking of Its Constituents against Acetylcholinesterase and β-Tubulin |
| title_short | Antifungal, Insecticidal, and Repellent Activities of Rosmarinus officinalis Essential Oil and Molecular Docking of Its Constituents against Acetylcholinesterase and β-Tubulin |
| title_sort | antifungal insecticidal and repellent activities of rosmarinus officinalis essential oil and molecular docking of its constituents against acetylcholinesterase and β tubulin |
| url | http://dx.doi.org/10.1155/2024/5558041 |
| work_keys_str_mv | AT ghizlanehouzi antifungalinsecticidalandrepellentactivitiesofrosmarinusofficinalisessentialoilandmoleculardockingofitsconstituentsagainstacetylcholinesteraseandbtubulin AT younesselabdali antifungalinsecticidalandrepellentactivitiesofrosmarinusofficinalisessentialoilandmoleculardockingofitsconstituentsagainstacetylcholinesteraseandbtubulin AT ghadabeniaich antifungalinsecticidalandrepellentactivitiesofrosmarinusofficinalisessentialoilandmoleculardockingofitsconstituentsagainstacetylcholinesteraseandbtubulin AT mohamedchebaibi antifungalinsecticidalandrepellentactivitiesofrosmarinusofficinalisessentialoilandmoleculardockingofitsconstituentsagainstacetylcholinesteraseandbtubulin AT mohamedtaibi antifungalinsecticidalandrepellentactivitiesofrosmarinusofficinalisessentialoilandmoleculardockingofitsconstituentsagainstacetylcholinesteraseandbtubulin AT amineelbouzidi antifungalinsecticidalandrepellentactivitiesofrosmarinusofficinalisessentialoilandmoleculardockingofitsconstituentsagainstacetylcholinesteraseandbtubulin AT samihakaioua antifungalinsecticidalandrepellentactivitiesofrosmarinusofficinalisessentialoilandmoleculardockingofitsconstituentsagainstacetylcholinesteraseandbtubulin AT abdeslamasehraou antifungalinsecticidalandrepellentactivitiesofrosmarinusofficinalisessentialoilandmoleculardockingofitsconstituentsagainstacetylcholinesteraseandbtubulin AT mohamedaddi antifungalinsecticidalandrepellentactivitiesofrosmarinusofficinalisessentialoilandmoleculardockingofitsconstituentsagainstacetylcholinesteraseandbtubulin AT khalidchaabane antifungalinsecticidalandrepellentactivitiesofrosmarinusofficinalisessentialoilandmoleculardockingofitsconstituentsagainstacetylcholinesteraseandbtubulin AT rachidflouchi antifungalinsecticidalandrepellentactivitiesofrosmarinusofficinalisessentialoilandmoleculardockingofitsconstituentsagainstacetylcholinesteraseandbtubulin AT aimadallali antifungalinsecticidalandrepellentactivitiesofrosmarinusofficinalisessentialoilandmoleculardockingofitsconstituentsagainstacetylcholinesteraseandbtubulin AT soadkhallayoun antifungalinsecticidalandrepellentactivitiesofrosmarinusofficinalisessentialoilandmoleculardockingofitsconstituentsagainstacetylcholinesteraseandbtubulin |