ArticleToxicology reports2026
Rutin outperforms gallic acid in mitigating carbon tetrachloride-induced nephrotoxicity: Integrated in silico (docking, MD simulations, DFT) and in vivo mechanistic validation.
Article in Toxicology reports, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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1 citing paper in PubMed.
- Dihydroxyflavones as potential therapeutic agents against inflammation and renal injury via p38 MAP kinase inhibition: an in silico and experimental study.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
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3 authors.
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Abstract
Background: Carbon tetrachloride (CCl₄) induces nephrotoxicity via oxidative stress and inflammation. Aim: This novel comparative study evaluated the nephroprotective efficacy of rutin and gallic acid (GA) against CCl₄-induced kidney damage by elucidating their antioxidant and anti-inflammatory mechanisms. Method: In silico, Quantum Mechanics/Molecular Mechanics methods screened rutin and GA's activity against Tumor Necrosis Factor (TNF) by inhibiting TNF-Alpha Convertase Enzyme (TACE) and Interleukin-6 (IL-6) via its receptor IL-6Rα, alongside assessing radical-neutralizing capacity. In vivo, twenty-four male Sprague-Dawley rats were divided into four groups (n = 6): normal control, CCl₄ (1 mL/kg, i.p., twice weekly), CCl₄ + rutin (40 mg/kg/day, oral), and CCl₄ + GA (40 mg/kg/day, oral) for four weeks. Renal function, oxidative stress, inflammation markers, histopathology, and immunohistochemistry were analyzed. Results: In silico, rutin exhibited radical-neutralizing abilities and potential to inhibit TACE and IL-6Rα. GA showed divergence in molecular dynamics simulations for these targets and lower radical neutralization affinity, based on activation energy and reaction enthalpy. In vivo, CCl₄ induced nephrotoxicity, increasing kidney biomarkers, oxidative stress, and inflammatory markers. Both compounds significantly mitigated damage, reducing creatinine, kidney injury molecule-1, neutrophil gelatinase-associated lipocalin, urea, uric acid, lipid peroxidation, interleukin-6, tumor necrosis factor-α, p53, and NF-κB expression (p < 0.05). Antioxidant enzymes (reduced glutathione, glutathione S-transferase, superoxide dismutase, catalase) were enhanced. Rutin consistently demonstrated superior efficacy. Conclusion: This first direct comparison confirms rutin's superior efficacy over GA in mitigating CCl₄-induced nephrotoxicity via antioxidant and anti-inflammatory pathways. The integrated in silico and in vivo approach validates their mechanisms, highlighting rutin's prophylactic potential.
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