Integrated in vitro and in silico evaluation of phenolic constituents from Fumaria officinalis : antioxidant, anticholinesterase, and tyrosinase inhibitory activities

Fumaria officinalis L. has been widely used in traditional medicine across Europe and Asia as an important herbal remedy. In this study, the plant was defatted using petroleum ether and extracted using with solvents of different polarities (FO1-FO3). Phenolic contents were analysed by HPLC-DAD. Antioxidant activities were evaluated DPPH, ABTS, CUPRAC, and β-carotene-linoleic acid bleaching methods in vitro. Anticholinesterase and tyrosinase inhibitory activities were also determined. FO3 exhibited the highest antioxidant activity among the extracts. Molecular docking was performed to investigate enzyme–ligand interactions. Major phenolic, including curcumin, hesperidin, rutin, catechin, and cynarin, showed strong binding affinities towards AChE, BChE, and tyrosinase. Curcumin showed the strongest affinity for AChE, while hesperidin and rutin were most effective against BChE, and hesperidin against tyrosinase, stabilised by hydrogen bonds, π-interactions, and van der Waals forces.