GC-MS Profiling, Antioxidant, Enzyme Inhibition, Molecular Docking, and ADME Investigation of the n-Hexane Extract and the Essential Oil of Platycladus orientalis (L.) Franco Fruits.

Platycladus orientalis (L.) Franco is an evergreen conifer widely used in folk medicine. However, few studies have explored the volatile composition of its fruits. The present study aimed to perform a comparative gas chromatography-mass spectrometry (GC-MS) profiling of the fruit essential oil and n-hexane extract, with assessment of the antioxidant and enzyme inhibitory potentials. In silico molecular docking and predictive absorption, distribution, metabolism, and excretion (ADME) profiling of the main identified components were adopted to support the obtained results. Results revealed that the hydrodistilled oil was dominated by monoterpene hydrocarbons (91.70%), with α-pinene (55.83%) as the main component. The n-hexane extract was dominated by diterpenoids (24.65%) and monoterpene hydrocarbons (25.46%), with 10-nonacosanol being the major component (18.95%). Both samples showed antioxidant properties. The hydrodistilled oil exhibited higher performance, indicated by ferric reducing antioxidant power (FRAP) and total antioxidant capacity assays. The n-hexane extract exhibited higher cupric reducing antioxidant capacity (CUPRAC) and metal chelating ability (MCA) activities. Both samples showed inhibition of acetylcholinesterase, butyrylcholinesterase, and tyrosinase enzymes. α-Amylase and α-glucosidase enzymes were only inhibited by the n-hexane extract, indicating its blood glucose management effect. The molecular docking and predictive ADME analyses supported the obtained results. These findings revealed that the extraction method markedly influenced the chemical composition and biological activity, highlighting the potential for treating dysregulated-enzyme conditions in addition to the health-promoting application of the essential oil in the food and pharmaceutical industries.