The rising resistance of plant pathogens to conventional fungicides requires the search for sustainable and environmentally friendly alternative strategies.
Fusarium algeriense
, a pathogen of durum wheat in the Mediterranean, is considered a major threat to food security. This study explores the antifungal potential of the essential oil from
Tetraclinis articulata
, using phytochemical, biological, and
in silico
approaches. The EO extracted by hydrodistillation was characterized by GC–MS, revealing a chemotype dominated by
β
-caryophyllene (24.73%), bornyl acetate (16.93%), and
α
-pinene (15.13%), defining an original profile rich in oxygenated sesquiterpenes.
In vitro
antifungal activity, evaluated by direct contact on agar Czapek Dox’s medium against the characterized isolate FusAlg12 (ITS, GenBank PX864254), showed dose-dependent inhibition of mycelial growth, reaching complete inhibition (100%) at the highest oil concentration (15 μL/mL). A bio-inspired hybrid molecule (HTA1), derived from the main compound, was designed and evaluated by molecular docking on fungal CYP51, a key target enzyme. HTA1 showed high affinity for the catalytic active site (−9.9 kcal/mol), higher than that of the reference ligand fluconazole (−9.1 kcal/mol), suggesting a competitive inhibition mechanism through hydrophobic locking of the active site. Molecular dynamics simulations indicate that the CYP51-HTA1 complex is structurally stable, with the ligand maintaining consistent interactions within the binding pocket while preserving protein compactness and conformation. ADMET evaluation indicates a favorable profile for phytosanitary application. These results demonstrate that
T. articulata
is a promising source of natural antifungal molecules and pave the way for the development of innovative biofungicides targeting a key enzyme in the physiology of phytopathogens.
A. S. Mohammed, H. Cherrad, Fatima Zohra El Kadi et al.· Frontiers in Sustainable Foo...· 0 citations
Psoriasis is a persistent cutaneous disorder involving an imbalance in immune regulation, oxidative stress, and abnormal epidermal proliferation. This study evaluated the therapeutic efficacy of Ecballium elaterium (EE) balm compared with clobetasol propionate (0.05%) (CLO) in rats with psoriasis-like lesions induced by topical imiquimod (IMQ). A total of twenty-four adult male of the Wistar strain were randomly allocated to four groups comprising: control (healthy rats), IMQ-induced psoriasis, IMQ + EE balm, and IMQ + clobetasol. Psoriasis was induced by topical application of 5% imiquimod. Treatments were administered daily. Disease severity, histological changes, oxidative stress markers, serum tumor necrosis factor-α (TNF-α), and biochemical parameters were evaluated. EE balm markedly improved psoriatic lesions and reduced psoriasis severity scores in imiquimod-treated rats. Biochemical analyses indicated that EE balm produced fewer disturbances in hepatic and lipid parameters than clobetasol, notably by preventing alanine aminotransferase elevation (EE: 62.20 ± 3.09; CLO: 89 ± 6.08) and lowering total cholesterol (EE: 0.47 ± 0.08; CLO: 0.63 ± 0.03). However, serum triglyceride (EE: 0.61 ± 0.03) and creatinine concentrations (EE: 6.03 ± 0.23) remained elevated. Serum TNF-α levels, markedly elevated in imiquimod-treated rats, were significantly reduced following EE balm and clobetasol treatments compared with the IMQ experimental set (p < 0.001). EE balm also mitigated oxidative stress by lowering thiobarbituric acid reactive substances (TBARS) levels in serum and erythrocytes in the IMQ group. It also restored antioxidant activities, including catalase (IMQ: 3.06 ± 0.79; EE: 4.24 ± 0.73), super oxide dismutase (IMQ: 03.17 ± 1.01; EE: 18.24 ± 1.90), glutathione peroxidase (EE: 31.25 ± 4.99). Additionally, glutathione s-transferase activity was improved in serum and erythrocytes (EE: 09.96 ± 2.29), as were reduced glutathione levels (IMQ: 0.0021 ± 0.0007; EE: 0.0042 ± 0.001). In an imiquimod-induced psoriasis rat model, Ecballium elaterium balm reduced disease severity, oxidative stress, and inflammatory markers, with systemic biochemical changes. Despite these promising findings, this research is still in its early stages based on a single preclinical model.
D. N. Benmalek, F. E. El kadi, Aicha Benyahia et al.· Frontiers in Pharmacology· 0 citations
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