Phytochemical Profiling and Biological Evaluation of Anthyllis henoniana Organs: Integrated In Vitro and Molecular Docking Insights Into Antioxidant, Anti-Inflammatory, and Cytotoxic Potential.

Anthyllis henoniana leaves and flowers were subjected to fractionated extraction using cyclohexane (CYHA), dichloromethane (DCM), ethyl acetate (EtOAc) and methanol (MeOH). The leaves-MeOH extract showed the highest yield and total polyphenol contents (TPC) compared to the flowers. The strongest antiradical activity (IC50 = 7.7 µg/mL) was recorded for the leaves compared to flowers (>50 µg/mL). The HPLC-DAD analysis showed the presence of eight and twelve bioactive compounds in the leaf and flower extracts, respectively. The flowers-CYHA extract exhibited the best anti-5-lipoxygenase (anti-5-LOX) activity (IC50 = 15 µg/mL) compared to the leaves (IC50 = 42 to 47 µg/mL). Anthyllis henoniana leaves showed greater anti-acetylcholinesterase (anti-AChE) activity than the flowers. The leaves-DCM fraction induced 60 and 70% cell growth inhibition against MCF-7 and HCT-116, respectively. Furthermore, the molecular docking investigations supported the in vitro antioxidant and anti-5-LOX patterns, revealing that the identified compounds exhibited low binding energies and interacted effectively within the novel human peroxidase (PDB:1PRX) and the crystal structure of soybean lipoxygenase-B (PDB: 2IUJ) enzymes, respectively. The obtained results indicated that the leaves-MeOH extract was the most enriched in polar compounds with high antioxidant and cytotoxic capacities, whereas the flowers-CYHA extracts accumulated nonpolar compounds of an effective anti-inflammatory capacity.