Chemical composition, antibacterial, antioxidant, and anticholinesterase activities, in vitro and in silico, of the essential oil of Algerian endemic species Daucus biseriatus Murb.

Abstract

This study investigated the chemical composition and biological activities of essential oils extracted from Daucus biseriatus collected from the Algerian Sahara. Gas chromatography-mass spectrometry identified 57 compounds, constituting 97.09% of the oils, with myristicin (23.88%), methylogenol (22.60%), elemicin (7.86%), and δ-cadiene (6.91%) as the main constituents. The oils exhibited significant antimicrobial activity, notably against Staphylococcus aureus, E. coli, and M. luteus, with inhibition zones up to 27 mm. Antioxidant activity was tested using ABTS and linoleic acid methods, yielding IC50 values of >800 µg/mL and 29.62 ± 3.28 µg/mL, respectively. The oils also showed moderate inhibition of Alzheimer's-related enzymes, acetylcholinesterase and butyrylcholinesterase, with IC50 values >800 µg/mL. Docking studies revealed myristicin as the most potent inhibitor of the LPS transporter (LptE). This pioneering research is the first to report on the essential oils of this plant.      .