Pharmacological and Pharmacokinetic Profiling of Asphodelus microcarpus Phytochemicals: UHPLC–MS/MS Characterization, Molecular Docking, and ADMET Analysis

ABSTRACT This study investigates the phytochemical composition and biological activities of Asphodelus microcarpus , a plant traditionally utilized in Moroccan medicine. Employing advanced UHPLC–MS/MS analysis, both ethanolic and methanolic extracts of A. microcarpus flowers were thoroughly characterized. The analysis revealed the presence of 16 compounds in the methanolic extract and 15 in the ethanolic extract, with isorhamnetin and luteolin identified as major constituents. Notably, the antioxidant gamma‐tocopherol was also detected. Further in vitro evaluations demonstrated significant antioxidant and antidiabetic potentials. To elucidate the underlying mechanisms, molecular docking simulations were performed. These simulations indicated strong binding affinities of key compounds, such as isorhamnetin and luteolin, with target proteins involved in oxidative stress and diabetes. Specifically, isorhamnetin and luteolin showed higher binding energies with α‐amylase than the conventional drug acarbose and superior antiglycation activity compared to gallic acid. Additionally, an in silico ADMET analysis of the major components suggested moderate water solubility, good tissue distribution, and low toxicity risk. While most compounds exhibited a short half‐life. These findings collectively underscore A. microcarpus as a promising natural source for developing novel antioxidant and antidiabetic agents.