Investigating the hepatoprotective effects of <i>Onopordum cyrenaicum</i> : phytochemical, biological, and computational approaches to combat liver damage

This study investigates the phytochemical constituents and hepatoprotective properties of <i>Onopordum cyrenaicum</i> Maire & Weiller, a traditional medicinal herb. Phytochemical analysis revealed phenolic acids and flavonoids at concentrations of 3.06 GAE/g and 1.02 CE/g, respectively. LC-ESI-MS/MS identified 35 compounds known for their antioxidant and anti-inflammatory properties. <i>In vitro</i> antioxidant assays showed scavenging abilities against DPPH and ABTS free radicals with IC50 values of 198.68 and 151.19 µg/mL. Rats treated with diethylnitrosamine (DEN) exhibited liver injury. Still, those treated with <i>O. cyrenaicum</i> showed nearly normal liver anatomy and significantly lower levels of pro-inflammatory markers compared to the HCC group. Additionally, anti-oxidative stress biomarkers were higher in the treated groups. The higher dose improved DEN-induced liver damage while maintaining healthy hepatocyte structure. Molecular docking indicated potential bioactivity of Onopornoids against specific enzymes, with favourable ADMET characteristics suggesting <i>O. cyrenaicum's</i> potential as a natural therapeutic agent for liver protection and cancer treatment.