Imaging pharmacological and edible behavior of Sinomenii Caulis volatile organic compounds: chain model insight

As a traditional Chinese medicine, Sinomenii Caulis (SC) has not only attracted much attention for its medicinal value, but also its volatile organic compounds have shown potential application in the agriculture and food fields. This study combined chain modeling (fingerprinting, machine learning, network pharmacology, metabolic analysis, spectroscopic experiments, and physical simulations) with the aim of interdisciplinarity exploring the potential applications of SC, at the interface of agriculture and food, especially in the area of food additives and active ingredient pharmacology. Palmitic acid (PA), linoleic acid (LA), and isomenthone (IM), which are closely related to depression, were shown to have good biocompatibility and stability, allowing them to cross the blood-brain barrier and exert their therapeutic effects on depression. Through metabolic analysis, these ingredients can be effectively metabolized in the human body, thus ensuring their safety in food. Through spectral analysis and physical simulation, it was verified that PA/LA/IM can interact with transporter proteins for in vivo transport. The volatile organic compounds of SC can be used for the treatment of depression and as food additives, which can be fully transported in vivo to perform their roles, which is beneficial for the development of medicines and flavored foods. This study provides a feasible guide for the development of food products with pharmacological activities. © 2025 Society of Chemical Industry.