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

The study investigated the volatile composition and biological activities of the essential oil and n-hexane extract from Platycladus orientalis fruits. GC-MS profiling showed that the essential oil was rich in monoterpene hydrocarbons, primarily α-pinene, while the n-hexane extract contained significant amounts of diterpenoids and monoterpene hydrocarbons, with 10-nonacosanol as a major component. Both extracts demonstrated antioxidant properties, with the essential oil showing superior performance in FRAP and total antioxidant capacity assays, and the n-hexane extract excelling in CUPRAC and metal chelating activities. Enzyme inhibition tests revealed that both extracts inhibited acetylcholinesterase, butyrylcholinesterase, and tyrosinase, while the n-hexane extract also inhibited α-amylase and α-glucosidase, suggesting potential for blood glucose management. Molecular docking and ADME analyses supported these findings, indicating that extraction methods significantly affect chemical composition and biological activity, with implications for treating enzyme-related conditions and applications in food and pharmaceuticals.