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. Using GC–MS profiling, the essential oil was found to be rich in monoterpene hydrocarbons, particularly 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 certain assays, and the n-hexane extract exhibiting better cupric reducing 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 the extraction method significantly affects chemical composition and biological activity, with implications for treating enzyme-related conditions and applications in food and pharmaceuticals.