Prediction and Analysis of the Components and Therapeutic Targets of Agarwood Essential Oil / 中国药学杂志

ABSTRACT

OBJECTIVE: To predict and analyze the chemical constituents-therapeutic targets of agarwood essential oil by network pharmacology. METHODS: First, the components of agarwood essential oil were determined and analyze by GC-MS and the compound database was built. Then, ADME and target prediction based on the structural data was performed by virtual computation. Finally, the predicted targets were classified and compared with the known therapeutic targets for sleep disorders, anxiety and depression-related diseases, so as to predict the therapeutic targets for diseases and construct the compound-therapeutic target-disease network. RESULTS: Agarwood essential oil can regulate the neural activity through ligand-receptor interaction pathway, cAMP signaling pathway, 5-hydroxytryptamine neural pathway, cholinergic neural pathway, dopaminergic neural pathway and other multiple pathways. Meanwhile, 11 compounds were screened out to have potential effects on 30 therapeutic targets related to insomnia, anxiety and depression. CONCLUSION: Agarwood essential oil has potential preventive and therapeutic effects on sleep disorders, anxiety, depression and other neurological diseases, which provides theoretical basis and data support for in-depth research and development of agarwood essential oil's sedative-hypnotic effects and its mechanism.