Hepatoprotective activity, phytochemical profile and molecular docking of flavonoids of Thesium viride
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Abstract
Abstract. Shehu S, Abdullahi M, Iliyasu U, Hamdy AA, Hadi YM, Danmalam UH, Star H, Shahadha KM, Aliyu A, Dogara AM, Al-Zahrani AA, Alghamdi MS. 2026. Hepatoprotective activity, phytochemical profile and molecular docking of flavonoids of Thesium viride. Asian J Nat Prod Biochem 24 (1): f240104. https://doi.org/10.13057/biofar/f240104. Liver disease is a major global health challenge. Medicinal plants such as Thesium viride can be used as alternatives, considering the traditional use of T. viride in liver management and the considerable drawbacks of current conventional therapy. This study aimed to evaluate the hepatoprotective effects of the T. viride fraction in vivo and in silico to confirm its traditional usage. Wistar rats (140-180 g) were pretreated with a flavonoid-rich fraction (200 or 400 mg/kg) seven days before carbon tetrachloride (CCl4)-induced hepatotoxicity, and liver function (ALT, AST, and ALP), oxidative stress biomarkers (MDA, CAT, and SOD), and histopathology (using a semi-quantitative scoring technique) were then evaluated to determine hepatoprotective efficacy. High-Performance Liquid Chromatography/Mass Spectrometry (HPLC/MS) analysis of the fraction was performed, and molecular docking was performed on the fraction. Pretreatment increased liver indices in a dose-dependent manner, decreased liver enzymes and lipid peroxidation (MDA), and promoted the recovery of antioxidant defenses (CAT and SOD). There was a significant reduction in necrosis, ballooning, and congestion, as observed via histology. Molecular docking against the Keap1 protein (PDB: 4L7B) revealed that all 11 identified compounds formed highly stable ligand‒protein complexes; in particular, isorhamnetin-3-galactoside-7-rhamnoside had higher binding affinities than the reference ligand did, suggesting its predicted hepatoprotective activity. The flavonoid-rich fraction of T. viride has significant hepatoprotective potential, making it an attractive candidate for future biological validation. Further investigations are warranted to evaluate the long-term safety and efficacy of the fraction in chronic liver disease models.
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