Author

S. Lekmine

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Sep 2026

Combined effects of difenoconazole and salinity stress on growth, photosynthetic pigments, and oxidative responses in tomato (Solanum lycopersicum L.).

Environmental contamination by pesticides and salts is a growing agricultural issue, especially in arid and semi-arid regions. Difenoconazole (DIF), a commonly used fungicide, and sodium chloride (NaCl), a widespread salinity stressor, often coexist in soil and water, yet their combined effects on non-target crops such as tomato (Solanum lycopersicum) are not well understood. This study assessed the individual and combined impacts of DIF (0.5 L ha-1) and NaCl (150 mM) on tomato seedlings by evaluating morpho-physiological, oxidative, and biochemical responses. Results showed significant reductions in shoot and root lengths under DIF (22.7%, 15.8%), NaCl (31.1%, 35.6%), and combined exposure (19.4%, 29.9%) compared to the control. Chlorophyll a and b levels decreased, with chlorophyll b reduced by 84% under co-exposure, indicating synergistic pigment degradation. Carotenoids increased (up to 96.7% under NaCl), suggesting a compensatory antioxidant mechanism. Oxidative stress markers malondialdehyde (MDA) and hydrogen peroxide (H2O2) increased under all treatments but showed antagonistic trends under combined exposure. Detoxification enzymes peroxidase (POD) and glutathione S-transferase (GST) were highly activated under co-exposure, while antioxidant enzymes catalase (CAT) and ascorbate peroxidase (APX) showed partial recovery. Proline accumulation peaked under DIF (389%) but decreased under combined stress (61%), indicating an antagonistic interaction. Flavonoid content (FLV) and phenylalanine ammonia-lyase (PAL) activity increased significantly under co-exposure, reflecting stimulated secondary metabolism. Overall, DIF and NaCl co-exposure triggered complex phytotoxic responses, primarily synergistic, impairing plant growth and metabolism. These findings underscore the need for integrated risk assessments of agrochemical and salinity co-stress, crucial for sustainable agriculture and environmental protection in vulnerable regions.

Nabil Touzout, M. Bouchibane, S. Lekmine et al. · Functional Plant Biology · 0 citations

Aug 2026

Network Pharmacology, Molecular Docking, Molecular Dynamics Simulation and ADMET Analysis Predict the Molecular Mechanisms of Gomisin N and Schisandrin B as Multi-Target Agents in Primary Sclerosing Cholangitis

Primary sclerosing cholangitis (PSC) is a chronic cholestatic liver disease characterized by inflammatory, fibrotic, and immune-mediated mechanisms, with limited therapeutic options. In this study, an integrative computational strategy combining network pharmacology, molecular docking, molecular dynamics simulation, MM-GBSA binding free energy estimation, and ADMET prediction was applied to explore the potential multi-target effects of Gomisin N and Schisandrin B. A total of 48 overlapping targets between PSC-related genes and compound-predicted targets were identified, suggesting a convergent target network involving key hubs such as SRC, EGFR, and HSP90AA1. Functional enrichment analysis indicated the involvement of PI3K–Akt, VEGF, and ErbB signaling pathways, which are associated with inflammation, cell survival, and fibrosis. Molecular docking suggested moderate binding affinities of both compounds toward selected hub proteins, with interactions involving functionally relevant residues. Molecular dynamics simulations over 100 ns indicated stable trajectories, limited residue fluctuations, preserved compactness, and persistent intermolecular interactions, particularly for SRC–ligand complexes. MM-GBSA analysis further supported favorable binding free energies, with Schisandrin B showing stronger energetic stability toward SRC than Gomisin N. Drug-likeness and ADMET predictions suggested acceptable physicochemical and preliminary safety profiles, although potential CYP450-related drugdrug interactions require consideration. Overall, these findings provide computational support for the potential role of Gomisin N and Schisandrin B as multi-target candidates in PSC-related therapeutic research. However, experimental validation is required to confirm their biological activity, pharmacokinetic behavior, and safety.

Nedjwa Mansouri, O. Benserradj, O. Benslama et al. · Journal of Computational Bio... · 0 citations