Ferula communis leaf extract: antioxidant capacity, UHPLC–MS/MS analysis, and in vivo and in silico toxicity investigations
IntroductionFerula communis has demonstrated an abundance of pharmacological and antioxidative qualities.MethodsThis study investigates the antioxidant activity of F. communis leaf aqueous extract, total polyphenol and flavonoid concentrations, and ultra-high-performance liquid chromatography (UHPLC...
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Frontiers Media S.A.
2025-01-01
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| author | Imad Ed-Dahmani Mohamed El Fadili Ghizlane Nouioura Fahd Kandsi Yassine El Atki Hatem A. Abuelizz Raffaele Conte Fatima Zahra Lafdil Abdeslam Taleb Abdelfattah Abdellaoui Mustapha Taleb |
| author_facet | Imad Ed-Dahmani Mohamed El Fadili Ghizlane Nouioura Fahd Kandsi Yassine El Atki Hatem A. Abuelizz Raffaele Conte Fatima Zahra Lafdil Abdeslam Taleb Abdelfattah Abdellaoui Mustapha Taleb |
| author_sort | Imad Ed-Dahmani |
| collection | DOAJ |
| description | IntroductionFerula communis has demonstrated an abundance of pharmacological and antioxidative qualities.MethodsThis study investigates the antioxidant activity of F. communis leaf aqueous extract, total polyphenol and flavonoid concentrations, and ultra-high-performance liquid chromatography (UHPLC) composition and then evaluates the toxicity of the plant’s leaves in vitro and in silico. The major compound of the studied extract, namely, p-hydroxybenzoic acid, was chosen for a molecular docking technique to discover the inhibition mechanism toward antioxidant proteins. In addition, a detailed molecular dynamics simulation was carried out to examine the thermodynamic stability of the produced intermolecular interactions. The antioxidant capacity of the extracts of F. communis was evaluated using 2,2-diphenylpicryl hydroxyl (DPPH) radical and ferric reducing antioxidant power (FRAP) procedures. Acute toxicity was tested on albino mice at doses of 200, 300, and 400 mg/kg.ResultsThe results show that the polyphenol and flavonoid contents of the extract are significant (0.257 ± 0.003 mg Eq AG/mg and 0.32 ± 0.04 mg Eq Q/mg, respectively). The antioxidant activity illustrates that the extracts have notable activity in DPPH and FRAP assays. The toxicity study revealed that the mice’s behavior, body weight, and organ weights (liver and kidneys) were unaffected by Ferula communis leaf extract administration compared to controls. UHPLC–tandem mass spectrometry (MS/MS) analysis of the extract highlights the presence of 11 compounds, the most abundant of which is p-hydroxybenzoic acid, representing 53.65%. The predicted pharmacokinetic characteristics of absorption, distribution, metabolism, excretion, and toxicity (ADMET) attest to the well-absorbed nature of the isolated compounds, with human intestinal absorption (HIA) varying from 42% for arbutin (M3) to 100% for ursolic acid (M4).ConclusionIn conclusion, the leaves of Ferula communis are a good source of natural antioxidants and phenolic compounds. Thus, this study demonstrates that this plant has a wide range of applications, including natural food preservatives, pharmaceuticals, and cosmetics, as evidenced by ongoing research. |
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| institution | Kabale University |
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| language | English |
| publishDate | 2025-01-01 |
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| spelling | doaj-art-44c601064c884196af540830936d35de2025-01-24T10:19:23ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462025-01-011210.3389/fchem.2024.14854631485463Ferula communis leaf extract: antioxidant capacity, UHPLC–MS/MS analysis, and in vivo and in silico toxicity investigationsImad Ed-Dahmani0Mohamed El Fadili1Ghizlane Nouioura2Fahd Kandsi3Yassine El Atki4Hatem A. Abuelizz5Raffaele Conte6Fatima Zahra Lafdil7Abdeslam Taleb8Abdelfattah Abdellaoui9Mustapha Taleb10Laboratory of Engineering, Electrochemistry, Modelling and Environment, Sidi Mohamed Ben Abdellah University, Faculty of Sciences Fez, Fez, MoroccoLIMAS Laboratory, Faculty of Sciences Dhar El Mehraz, Sidi Mohammed Ben Abdellah University, Fez, MoroccoLaboratory of Natural Substances, Pharmacology, Environment, Modeling, Health and Quality of Life (SNAMOPEQ), Faculty of Sciences Dhar El-Mehraz, Sidi Mohamed Ben Abdellah University, Fez, MoroccoLaboratory of Bioresources, Biotechnology, Ethnopharmacology and Health, Faculty of Sciences, Mohammed First University, Oujda, MoroccoHigh Institute of Nursing Professions and Health Techniques Errachidia, Errachidia, MoroccoDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, Saudi ArabiaResearch Institute on Terrestrial Ecosystems (IRET)-CNR, Naples, ItalyLaboratory of Bioresources, Biotechnology, Ethnopharmacology and Health, Faculty of Sciences, Mohammed First University, Oujda, MoroccoLaboratory of Water and Environmental Engineering, Hassan II University of Casablanca, Casablanca, MoroccoLaboratory of Engineering, Electrochemistry, Modelling and Environment, Sidi Mohamed Ben Abdellah University, Faculty of Sciences Fez, Fez, MoroccoLaboratory of Engineering, Electrochemistry, Modelling and Environment, Sidi Mohamed Ben Abdellah University, Faculty of Sciences Fez, Fez, MoroccoIntroductionFerula communis has demonstrated an abundance of pharmacological and antioxidative qualities.MethodsThis study investigates the antioxidant activity of F. communis leaf aqueous extract, total polyphenol and flavonoid concentrations, and ultra-high-performance liquid chromatography (UHPLC) composition and then evaluates the toxicity of the plant’s leaves in vitro and in silico. The major compound of the studied extract, namely, p-hydroxybenzoic acid, was chosen for a molecular docking technique to discover the inhibition mechanism toward antioxidant proteins. In addition, a detailed molecular dynamics simulation was carried out to examine the thermodynamic stability of the produced intermolecular interactions. The antioxidant capacity of the extracts of F. communis was evaluated using 2,2-diphenylpicryl hydroxyl (DPPH) radical and ferric reducing antioxidant power (FRAP) procedures. Acute toxicity was tested on albino mice at doses of 200, 300, and 400 mg/kg.ResultsThe results show that the polyphenol and flavonoid contents of the extract are significant (0.257 ± 0.003 mg Eq AG/mg and 0.32 ± 0.04 mg Eq Q/mg, respectively). The antioxidant activity illustrates that the extracts have notable activity in DPPH and FRAP assays. The toxicity study revealed that the mice’s behavior, body weight, and organ weights (liver and kidneys) were unaffected by Ferula communis leaf extract administration compared to controls. UHPLC–tandem mass spectrometry (MS/MS) analysis of the extract highlights the presence of 11 compounds, the most abundant of which is p-hydroxybenzoic acid, representing 53.65%. The predicted pharmacokinetic characteristics of absorption, distribution, metabolism, excretion, and toxicity (ADMET) attest to the well-absorbed nature of the isolated compounds, with human intestinal absorption (HIA) varying from 42% for arbutin (M3) to 100% for ursolic acid (M4).ConclusionIn conclusion, the leaves of Ferula communis are a good source of natural antioxidants and phenolic compounds. Thus, this study demonstrates that this plant has a wide range of applications, including natural food preservatives, pharmaceuticals, and cosmetics, as evidenced by ongoing research.https://www.frontiersin.org/articles/10.3389/fchem.2024.1485463/fullFerula communisflavonoidspolyphenols2,2-diphenylpicryl hydroxylantioxidant powerdocking |
| spellingShingle | Imad Ed-Dahmani Mohamed El Fadili Ghizlane Nouioura Fahd Kandsi Yassine El Atki Hatem A. Abuelizz Raffaele Conte Fatima Zahra Lafdil Abdeslam Taleb Abdelfattah Abdellaoui Mustapha Taleb Ferula communis leaf extract: antioxidant capacity, UHPLC–MS/MS analysis, and in vivo and in silico toxicity investigations Frontiers in Chemistry Ferula communis flavonoids polyphenols 2,2-diphenylpicryl hydroxyl antioxidant power docking |
| title | Ferula communis leaf extract: antioxidant capacity, UHPLC–MS/MS analysis, and in vivo and in silico toxicity investigations |
| title_full | Ferula communis leaf extract: antioxidant capacity, UHPLC–MS/MS analysis, and in vivo and in silico toxicity investigations |
| title_fullStr | Ferula communis leaf extract: antioxidant capacity, UHPLC–MS/MS analysis, and in vivo and in silico toxicity investigations |
| title_full_unstemmed | Ferula communis leaf extract: antioxidant capacity, UHPLC–MS/MS analysis, and in vivo and in silico toxicity investigations |
| title_short | Ferula communis leaf extract: antioxidant capacity, UHPLC–MS/MS analysis, and in vivo and in silico toxicity investigations |
| title_sort | ferula communis leaf extract antioxidant capacity uhplc ms ms analysis and in vivo and in silico toxicity investigations |
| topic | Ferula communis flavonoids polyphenols 2,2-diphenylpicryl hydroxyl antioxidant power docking |
| url | https://www.frontiersin.org/articles/10.3389/fchem.2024.1485463/full |
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