Metabolomics, antioxidant, and enzyme inhibitory effects of Citrus aurantium fruits
IntroductionThe genus Citrus comprises a large number of economically important fruit crops. They are recognized globally as functional foods and in the food, pharmaceutical, and cosmetic industries.MethodsWe present herein the chemical composition of the hexane extracts of Citrus aurantium (bitter...
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Frontiers Media S.A.
2025-06-01
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fchem.2025.1613827/full |
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| author | Omayma A. Eldahshan Omayma A. Eldahshan Salwa Bouabdallah Rawan M. Abd El-khalek Mahmoud A. El Hassab Gokhan Zengin Ahmed T. Negmeldin Ahmed T. Negmeldin Eman F. Khaleel Wagdy M. Eldehna Nada M. Mostafa |
| author_facet | Omayma A. Eldahshan Omayma A. Eldahshan Salwa Bouabdallah Rawan M. Abd El-khalek Mahmoud A. El Hassab Gokhan Zengin Ahmed T. Negmeldin Ahmed T. Negmeldin Eman F. Khaleel Wagdy M. Eldehna Nada M. Mostafa |
| author_sort | Omayma A. Eldahshan |
| collection | DOAJ |
| description | IntroductionThe genus Citrus comprises a large number of economically important fruit crops. They are recognized globally as functional foods and in the food, pharmaceutical, and cosmetic industries.MethodsWe present herein the chemical composition of the hexane extracts of Citrus aurantium (bitter orange) fruits and leaves by GC-MS for the first time, in addition to their antioxidant and enzyme inhibitory activities in vitro.Results and DiscussionGC-MS revealed nootkatone (15.29%), decyl anthranilate (11.58%), neryl acetate (7.83%), and linalool acetate (6.83%) as major components of fruit extract; while the leaves extract contained mainly lupeol (24.32%), linalool (16.47%), friedelan-3-one (16.40%) and linalool acetate (12.31%). The extracts showed potential inhibitory activities against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), tyrosinase, amylase, and glucosidase enzymes. Results were confirmed by in silico molecular docking studies on the respective enzymes' active sites, viz NADPH oxidase, BChE, tyrosinase, α-amylase, and α-glucosidase. Amongst the docked compounds, lupeol showed the best binding affinities to NADPH oxidase, butyrylcholinesterase BChE, and α- glucosidase; while linalool acetate and neryl acetate showed the best activities against tyrosinase and α-amylase enzymes, respectively. In conclusion, bitter orange waste products can be a potentially important source of antioxidants and useful supplements. |
| format | Article |
| id | doaj-art-849005ddc19c403288c99261d5ecad76 |
| institution | Kabale University |
| issn | 2296-2646 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | Frontiers Media S.A. |
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| series | Frontiers in Chemistry |
| spelling | doaj-art-849005ddc19c403288c99261d5ecad762025-08-20T03:28:00ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462025-06-011310.3389/fchem.2025.16138271613827Metabolomics, antioxidant, and enzyme inhibitory effects of Citrus aurantium fruitsOmayma A. Eldahshan0Omayma A. Eldahshan1Salwa Bouabdallah2Rawan M. Abd El-khalek3Mahmoud A. El Hassab4Gokhan Zengin5Ahmed T. Negmeldin6Ahmed T. Negmeldin7Eman F. Khaleel8Wagdy M. Eldehna9Nada M. Mostafa10Department of Pharmacognosy, Faculty of Pharmacy, Ain Shams University, Cairo, EgyptCenter of Drug Discovery, Research and Development, Faculty of Pharmacy, Ain Shams University, Cairo, EgyptEnvironmental Biomonitoring Laboratory LBE (LR01/ES14), Faculty of Sciences Bizerta, Carthage University, Zarzouna, TunisiaFaculty of Medicine, New Giza University, Giza, EgyptDepartment of Medicinal Chemistry, Faculty of Pharmacy, King Salman International University (KSIU), South Sinai, EgyptDepartment of Biology, Science Faculty, Selcuk University, Konya, TürkiyeDepartment of Pharmaceutical Sciences, College of Pharmacy and Thumbay Research Institute for Precision Medicine, Gulf Medical University, Ajman, United Arab EmiratesDepartment of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Cairo University, Cairo, EgyptDepartment of Medical Physiology, College of Medicine, King Khalid University, Asir, Saudi Arabia0Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh, EgyptDepartment of Pharmacognosy, Faculty of Pharmacy, Ain Shams University, Cairo, EgyptIntroductionThe genus Citrus comprises a large number of economically important fruit crops. They are recognized globally as functional foods and in the food, pharmaceutical, and cosmetic industries.MethodsWe present herein the chemical composition of the hexane extracts of Citrus aurantium (bitter orange) fruits and leaves by GC-MS for the first time, in addition to their antioxidant and enzyme inhibitory activities in vitro.Results and DiscussionGC-MS revealed nootkatone (15.29%), decyl anthranilate (11.58%), neryl acetate (7.83%), and linalool acetate (6.83%) as major components of fruit extract; while the leaves extract contained mainly lupeol (24.32%), linalool (16.47%), friedelan-3-one (16.40%) and linalool acetate (12.31%). The extracts showed potential inhibitory activities against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), tyrosinase, amylase, and glucosidase enzymes. Results were confirmed by in silico molecular docking studies on the respective enzymes' active sites, viz NADPH oxidase, BChE, tyrosinase, α-amylase, and α-glucosidase. Amongst the docked compounds, lupeol showed the best binding affinities to NADPH oxidase, butyrylcholinesterase BChE, and α- glucosidase; while linalool acetate and neryl acetate showed the best activities against tyrosinase and α-amylase enzymes, respectively. In conclusion, bitter orange waste products can be a potentially important source of antioxidants and useful supplements.https://www.frontiersin.org/articles/10.3389/fchem.2025.1613827/fullCitrus aurantiumbitter orangeRutaceaeGC-MSantioxidantenzyme inhibition |
| spellingShingle | Omayma A. Eldahshan Omayma A. Eldahshan Salwa Bouabdallah Rawan M. Abd El-khalek Mahmoud A. El Hassab Gokhan Zengin Ahmed T. Negmeldin Ahmed T. Negmeldin Eman F. Khaleel Wagdy M. Eldehna Nada M. Mostafa Metabolomics, antioxidant, and enzyme inhibitory effects of Citrus aurantium fruits Frontiers in Chemistry Citrus aurantium bitter orange Rutaceae GC-MS antioxidant enzyme inhibition |
| title | Metabolomics, antioxidant, and enzyme inhibitory effects of Citrus aurantium fruits |
| title_full | Metabolomics, antioxidant, and enzyme inhibitory effects of Citrus aurantium fruits |
| title_fullStr | Metabolomics, antioxidant, and enzyme inhibitory effects of Citrus aurantium fruits |
| title_full_unstemmed | Metabolomics, antioxidant, and enzyme inhibitory effects of Citrus aurantium fruits |
| title_short | Metabolomics, antioxidant, and enzyme inhibitory effects of Citrus aurantium fruits |
| title_sort | metabolomics antioxidant and enzyme inhibitory effects of citrus aurantium fruits |
| topic | Citrus aurantium bitter orange Rutaceae GC-MS antioxidant enzyme inhibition |
| url | https://www.frontiersin.org/articles/10.3389/fchem.2025.1613827/full |
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