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

ABSTRACT

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 (IC ₅₀ = 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 (IC ₅₀ = 15 µg/mL) compared to the leaves (IC ₅₀ = 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.