Therapeutic potential of Curcuma longa against monkeypox: antioxidant, anti-inflammatory, and computational insights
BackgroundMonkeypox (Mpox) is a re-emerging zoonotic disease with limited therapeutic options, necessitating the exploration of novel antiviral agents. Curcuma longa (turmeric) is a widely used medicinal plant known for its antioxidant and anti-inflammatory properties, primarily attributed to its bi...
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Frontiers Media S.A.
2025-01-01
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fchem.2024.1509913/full |
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| author | Farouk Boudou Amal Belakredar Ahcen Keziz Linda Aissani Huda Alsaeedi David Cronu Mikhael Bechelany Mikhael Bechelany Ahmed Barhoum |
| author_facet | Farouk Boudou Amal Belakredar Ahcen Keziz Linda Aissani Huda Alsaeedi David Cronu Mikhael Bechelany Mikhael Bechelany Ahmed Barhoum |
| author_sort | Farouk Boudou |
| collection | DOAJ |
| description | BackgroundMonkeypox (Mpox) is a re-emerging zoonotic disease with limited therapeutic options, necessitating the exploration of novel antiviral agents. Curcuma longa (turmeric) is a widely used medicinal plant known for its antioxidant and anti-inflammatory properties, primarily attributed to its bioactive curcuminoids.AimThis study aimed to evaluate the therapeutic potential of C. longa aqueous extract (CAE) against monkeypox through phytochemical characterization, biological assays, and computational analyses.MethodologyPhytochemical analysis, including HPLC, identified key Curcumin, Bisdemethoxycurcumin, Demethoxycurcumin, Tetrahydrocurcumin, Curcuminol, and Ar-curcumene. The DPPH assay and total antioxidant capacity (TAC) were employed to assess antioxidant activity. Anti-inflammatory effects were determined by measuring the inhibition of heat-induced protein denaturation. Molecular docking and molecular dynamics (MD) simulations were performed to evaluate the interactions between curcuminoids and monkeypox virus proteins.ResultsThe aqueous extract of C. longa was prepared via decoction, yielding 7.80% ± 0.81% extract with curcumin as the predominant compound (36.33%). The CAE exhibited strong antioxidant activity with a TAC of 36.55 ± 0.01 µg GAE/g d.w., an IC50 of 0.77 ± 0.04 mg/mL in the DPPH assay, andan EC50 of FRAP of 3.46 ± 0.11 mg/mL. Anti-inflammatory analysis showed 78.88 ± 0.53%inhibition for egg albumin and 90.51 ± 0.29%for BSA. Molecular docking identified demethoxycurcumin (DMC) as the most potent compound, with binding affinities of −8.42 kcal/mol (4QVO), −7.61 kcal/mol (8CEQ), and −7.88 kcal/mol (8QRV). MD simulations confirmed the stability of DMC complexes, with the 4QVO-DMC interaction being the most stable, showing RMSD fluctuations within a range of 0.2–0.6 nm, with an average fluctuation of 0.4 nm, and consistent compactness with Rg values remaining between 1.8 and 2.0 nm, with a fluctuation of only 0.2 nm over 100 ns.DiscussionThe results demonstrate the multifunctional therapeutic potential of C. longa, driven by its potent antioxidant and anti-inflammatory properties. The computational findings suggest that curcuminoids, particularly demethoxycurcumin, could serve as promising antiviral agents against monkeypox. These findings pave the way for further preclinical studies to validate the antiviral efficacy of C. longa bioactives and their potential applications in combating viral infections. |
| format | Article |
| id | doaj-art-95029d94d23a47d2a7d1ea082edc5709 |
| institution | Kabale University |
| issn | 2296-2646 |
| language | English |
| publishDate | 2025-01-01 |
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| spelling | doaj-art-95029d94d23a47d2a7d1ea082edc57092025-01-16T13:12:40ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462025-01-011210.3389/fchem.2024.15099131509913Therapeutic potential of Curcuma longa against monkeypox: antioxidant, anti-inflammatory, and computational insightsFarouk Boudou0Amal Belakredar1Ahcen Keziz2Linda Aissani3Huda Alsaeedi4David Cronu5Mikhael Bechelany6Mikhael Bechelany7Ahmed Barhoum8Department of Biology, Faculty of Natural and Life Sciences, Djillali Liabes University of Sidi-Bel-Abbes, Sidi-Bel-Abbes, AlgeriaDepartment of Biotechnology, Faculty of Natural Sciences and Life, University of Mostaganem Abdelhamid Ibn Badis, Mostaganem, AlgeriaDepartment of Physics, Physics and Chemistry of Materials Laboratory, University of M’sila, M’sila, AlgeriaMatter sciences Department, Abbes Laghrour- University of Khenchela, Khenchela, AlgeriaDepartment of Chemistry, College of Science, King Saud University, Riyadh, Saudi ArabiaInstitut Européen des Membranes, IEM, UMR-5635, Univ Montpellier, ENSCM, CNRS, Montpellier, FranceInstitut Européen des Membranes, IEM, UMR-5635, Univ Montpellier, ENSCM, CNRS, Montpellier, FranceFunctional Materials Group, Gulf University for Science and Technology (GUST), Mubarak Al-Abdullah, KuwaitNanoStruc Research Group, Chemistry Department, Faculty of Science, Helwan University, Cairo, EgyptBackgroundMonkeypox (Mpox) is a re-emerging zoonotic disease with limited therapeutic options, necessitating the exploration of novel antiviral agents. Curcuma longa (turmeric) is a widely used medicinal plant known for its antioxidant and anti-inflammatory properties, primarily attributed to its bioactive curcuminoids.AimThis study aimed to evaluate the therapeutic potential of C. longa aqueous extract (CAE) against monkeypox through phytochemical characterization, biological assays, and computational analyses.MethodologyPhytochemical analysis, including HPLC, identified key Curcumin, Bisdemethoxycurcumin, Demethoxycurcumin, Tetrahydrocurcumin, Curcuminol, and Ar-curcumene. The DPPH assay and total antioxidant capacity (TAC) were employed to assess antioxidant activity. Anti-inflammatory effects were determined by measuring the inhibition of heat-induced protein denaturation. Molecular docking and molecular dynamics (MD) simulations were performed to evaluate the interactions between curcuminoids and monkeypox virus proteins.ResultsThe aqueous extract of C. longa was prepared via decoction, yielding 7.80% ± 0.81% extract with curcumin as the predominant compound (36.33%). The CAE exhibited strong antioxidant activity with a TAC of 36.55 ± 0.01 µg GAE/g d.w., an IC50 of 0.77 ± 0.04 mg/mL in the DPPH assay, andan EC50 of FRAP of 3.46 ± 0.11 mg/mL. Anti-inflammatory analysis showed 78.88 ± 0.53%inhibition for egg albumin and 90.51 ± 0.29%for BSA. Molecular docking identified demethoxycurcumin (DMC) as the most potent compound, with binding affinities of −8.42 kcal/mol (4QVO), −7.61 kcal/mol (8CEQ), and −7.88 kcal/mol (8QRV). MD simulations confirmed the stability of DMC complexes, with the 4QVO-DMC interaction being the most stable, showing RMSD fluctuations within a range of 0.2–0.6 nm, with an average fluctuation of 0.4 nm, and consistent compactness with Rg values remaining between 1.8 and 2.0 nm, with a fluctuation of only 0.2 nm over 100 ns.DiscussionThe results demonstrate the multifunctional therapeutic potential of C. longa, driven by its potent antioxidant and anti-inflammatory properties. The computational findings suggest that curcuminoids, particularly demethoxycurcumin, could serve as promising antiviral agents against monkeypox. These findings pave the way for further preclinical studies to validate the antiviral efficacy of C. longa bioactives and their potential applications in combating viral infections.https://www.frontiersin.org/articles/10.3389/fchem.2024.1509913/fullMpox virusCurcuma longacurcuminoidsantioxidant activityanti-inflammatory propertiesmolecular docking |
| spellingShingle | Farouk Boudou Amal Belakredar Ahcen Keziz Linda Aissani Huda Alsaeedi David Cronu Mikhael Bechelany Mikhael Bechelany Ahmed Barhoum Therapeutic potential of Curcuma longa against monkeypox: antioxidant, anti-inflammatory, and computational insights Frontiers in Chemistry Mpox virus Curcuma longa curcuminoids antioxidant activity anti-inflammatory properties molecular docking |
| title | Therapeutic potential of Curcuma longa against monkeypox: antioxidant, anti-inflammatory, and computational insights |
| title_full | Therapeutic potential of Curcuma longa against monkeypox: antioxidant, anti-inflammatory, and computational insights |
| title_fullStr | Therapeutic potential of Curcuma longa against monkeypox: antioxidant, anti-inflammatory, and computational insights |
| title_full_unstemmed | Therapeutic potential of Curcuma longa against monkeypox: antioxidant, anti-inflammatory, and computational insights |
| title_short | Therapeutic potential of Curcuma longa against monkeypox: antioxidant, anti-inflammatory, and computational insights |
| title_sort | therapeutic potential of curcuma longa against monkeypox antioxidant anti inflammatory and computational insights |
| topic | Mpox virus Curcuma longa curcuminoids antioxidant activity anti-inflammatory properties molecular docking |
| url | https://www.frontiersin.org/articles/10.3389/fchem.2024.1509913/full |
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