Chemical Profiling, Antioxidant and Antimicrobial Activities, and In Silico Evaluation of <i>Gardenia jasminoides</i> Essential Oil

Aromatic and medicinal plants have been integral to human civilization for thousands of years, serving not only as vital components in traditional and modern medicine but also as sources of captivating fragrances that enhance our sensory experiences. The main objective of this study was to explore t...

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Main Authors: Mohammed Kara, Nouha Haoudi, Nor El houda Tahiri, Fatima Zahra Rhebbar, Reda El Mernissi, Amine Assouguem, Hamid Slali, Jamila Bahhou
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Language:English
Published: MDPI AG 2025-03-01
Series:Plants
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Online Access:https://www.mdpi.com/2223-7747/14/7/1055
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author Mohammed Kara
Nouha Haoudi
Nor El houda Tahiri
Fatima Zahra Rhebbar
Reda El Mernissi
Amine Assouguem
Hamid Slali
Jamila Bahhou
author_facet Mohammed Kara
Nouha Haoudi
Nor El houda Tahiri
Fatima Zahra Rhebbar
Reda El Mernissi
Amine Assouguem
Hamid Slali
Jamila Bahhou
author_sort Mohammed Kara
collection DOAJ
description Aromatic and medicinal plants have been integral to human civilization for thousands of years, serving not only as vital components in traditional and modern medicine but also as sources of captivating fragrances that enhance our sensory experiences. The main objective of this study was to explore the chemical composition, antioxidant and antimicrobial properties, and in silico molecular docking attributes of <i>Gardenia jasminoides</i> essential oil (<i>GJEO</i>). The chemical compositions were determined using gas chromatography–mass spectrometry (GC-MS) analysis. The antioxidant activity was determined by 2,2-Diphenyl-1-picrylhydrazyl (DPPH) and total antioxidant capacity (TAC) test. The antimicrobial activity was tested in vitro using three microbial strains (<i>Escherichia coli</i>, <i>Pseudomonas aeruginosa</i>, and <i>Staphylococcus aureus</i>), and two fungal strains (<i>Candida albicans</i> and <i>Aspergillus niger</i>). In silico analysis by molecular docking was used to determine the interaction types of topoisomerase II receptors and the most important antioxidant and antimicrobial compounds (Eugenol, Methyleugenol, and α-Terpineol ligands). The obtained results highlight the presence of 25 volatile compounds including 5 new detected compounds: Methyleugenol (15.41%), 1-Undecyne (3.4%), 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- (1.11%), 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)- (0.4%), and 5,9-Tetradecadiyne (0.32%). The antioxidant capacity of <i>GJEO</i> is around 1.25 µg equivalent of ascorbic acid/mL for TAC assay and IC50 = 19.05 µL/mL for DPPH test. <i>GJEO</i> exhibited significant antimicrobial activity, particularly against <i>Pseudomonas aeruginosa</i>, with a minimum inhibitory concentration (MIC) of 16.67 µL/mL. In silico molecular docking analysis revealed strong interactions between ethyleugenol characterized by multiple bonding interactions, including Pi–Alkyl and carbon–hydrogen bonds, while α-Terpineol formed hydrogen and alkyl interactions. These results underline the potential of <i>Gardenia jasminoides</i> essential oil as a promising source of bioactive compounds with antioxidant and antimicrobial properties, highlighting its possible applications in pharmaceuticals and natural therapies.
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spelling doaj-art-6995ee669c154a2c9f205b262a360f232025-08-20T02:09:14ZengMDPI AGPlants2223-77472025-03-01147105510.3390/plants14071055Chemical Profiling, Antioxidant and Antimicrobial Activities, and In Silico Evaluation of <i>Gardenia jasminoides</i> Essential OilMohammed Kara0Nouha Haoudi1Nor El houda Tahiri2Fatima Zahra Rhebbar3Reda El Mernissi4Amine Assouguem5Hamid Slali6Jamila Bahhou7Laboratory of Biotechnology, Conservation and Valorisation of Bioresources (LBCVB), Faculty of Sciences Dhar El Mehraz, Sidi Mohamed Ben Abdallah University, P.O. Box 1796 Atlas, Fez 30000, MoroccoLaboratory of Biotechnology, Conservation and Valorisation of Bioresources (LBCVB), Faculty of Sciences Dhar El Mehraz, Sidi Mohamed Ben Abdallah University, P.O. Box 1796 Atlas, Fez 30000, MoroccoNatural Resources and Sustainable Development Laboratory, Department of Biology, Faculty of Sciences, Ibn Tofail University, P.O. Box 133, Kenitra 14000, MoroccoNatural Resources and Sustainable Development Laboratory, Department of Biology, Faculty of Sciences, Ibn Tofail University, P.O. Box 133, Kenitra 14000, MoroccoMolecular Chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay Ismail, Meknes 50050, MoroccoEthnopharmacology and Pharmacognosy Team, Faculty of Sciences and Technology, Errachidia, University Moulay Ismaïl, Meknes 50050, MoroccoLaboratory of Scientific Innovation in Sustainability, Environment, Education and Health in Era of AI (ISDEESIA), Department of Biology-Geology, Ecole Normale Supérieure (ENS), Sidi Mohamed Ben Abdellah University (USMBA), Fes 30000, MoroccoLaboratory of Biotechnology, Conservation and Valorisation of Bioresources (LBCVB), Faculty of Sciences Dhar El Mehraz, Sidi Mohamed Ben Abdallah University, P.O. Box 1796 Atlas, Fez 30000, MoroccoAromatic and medicinal plants have been integral to human civilization for thousands of years, serving not only as vital components in traditional and modern medicine but also as sources of captivating fragrances that enhance our sensory experiences. The main objective of this study was to explore the chemical composition, antioxidant and antimicrobial properties, and in silico molecular docking attributes of <i>Gardenia jasminoides</i> essential oil (<i>GJEO</i>). The chemical compositions were determined using gas chromatography–mass spectrometry (GC-MS) analysis. The antioxidant activity was determined by 2,2-Diphenyl-1-picrylhydrazyl (DPPH) and total antioxidant capacity (TAC) test. The antimicrobial activity was tested in vitro using three microbial strains (<i>Escherichia coli</i>, <i>Pseudomonas aeruginosa</i>, and <i>Staphylococcus aureus</i>), and two fungal strains (<i>Candida albicans</i> and <i>Aspergillus niger</i>). In silico analysis by molecular docking was used to determine the interaction types of topoisomerase II receptors and the most important antioxidant and antimicrobial compounds (Eugenol, Methyleugenol, and α-Terpineol ligands). The obtained results highlight the presence of 25 volatile compounds including 5 new detected compounds: Methyleugenol (15.41%), 1-Undecyne (3.4%), 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- (1.11%), 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)- (0.4%), and 5,9-Tetradecadiyne (0.32%). The antioxidant capacity of <i>GJEO</i> is around 1.25 µg equivalent of ascorbic acid/mL for TAC assay and IC50 = 19.05 µL/mL for DPPH test. <i>GJEO</i> exhibited significant antimicrobial activity, particularly against <i>Pseudomonas aeruginosa</i>, with a minimum inhibitory concentration (MIC) of 16.67 µL/mL. In silico molecular docking analysis revealed strong interactions between ethyleugenol characterized by multiple bonding interactions, including Pi–Alkyl and carbon–hydrogen bonds, while α-Terpineol formed hydrogen and alkyl interactions. These results underline the potential of <i>Gardenia jasminoides</i> essential oil as a promising source of bioactive compounds with antioxidant and antimicrobial properties, highlighting its possible applications in pharmaceuticals and natural therapies.https://www.mdpi.com/2223-7747/14/7/1055medicinal plants<i>Gardenia jasminoides</i>secondary metabolitesphytochemistryessential oil
spellingShingle Mohammed Kara
Nouha Haoudi
Nor El houda Tahiri
Fatima Zahra Rhebbar
Reda El Mernissi
Amine Assouguem
Hamid Slali
Jamila Bahhou
Chemical Profiling, Antioxidant and Antimicrobial Activities, and In Silico Evaluation of <i>Gardenia jasminoides</i> Essential Oil
Plants
medicinal plants
<i>Gardenia jasminoides</i>
secondary metabolites
phytochemistry
essential oil
title Chemical Profiling, Antioxidant and Antimicrobial Activities, and In Silico Evaluation of <i>Gardenia jasminoides</i> Essential Oil
title_full Chemical Profiling, Antioxidant and Antimicrobial Activities, and In Silico Evaluation of <i>Gardenia jasminoides</i> Essential Oil
title_fullStr Chemical Profiling, Antioxidant and Antimicrobial Activities, and In Silico Evaluation of <i>Gardenia jasminoides</i> Essential Oil
title_full_unstemmed Chemical Profiling, Antioxidant and Antimicrobial Activities, and In Silico Evaluation of <i>Gardenia jasminoides</i> Essential Oil
title_short Chemical Profiling, Antioxidant and Antimicrobial Activities, and In Silico Evaluation of <i>Gardenia jasminoides</i> Essential Oil
title_sort chemical profiling antioxidant and antimicrobial activities and in silico evaluation of i gardenia jasminoides i essential oil
topic medicinal plants
<i>Gardenia jasminoides</i>
secondary metabolites
phytochemistry
essential oil
url https://www.mdpi.com/2223-7747/14/7/1055
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