关键词: 茉莉花（Jasminum sambac）, 根, 挥发油, GC-MS（气相色谱质谱联用仪）, 网络药理学, 镇静安神作用

Abstract: The mechanism of sedation and hypnosis effect of volatile oil from the root of Jasminum sambac based on the GC-MS and network pharmacology was explored. The volatile oil components in the roots of Jasminum sambac were analyzed using GC-MS technology; potential targets were screened using databases such as TCMSP and Swiss Target Prediction, and relevant targets of “insomnia” were queried using the CTD （http：//ctdbase.org/） database; intersection targets were obtained using the Venny mapping software（https：//bioinfogp.cnb.csic.es/tools/Venny/index.html）, and a protein-protein interaction network （PPI） was constructed using the STRING database （https：//string-db.org/cgi/input.pl） to screen core targets of action; an active ingredient-target-pathway network diagram was created using Cytoscape 3.7.2 software, and main targets and signaling pathways were predicted through GO annotation and KEGG enrichment analysis; finally, the docking between the main active ingredients and their core targets was verified using the molecular docking software SYBYL. The results showed that a total of 23 compounds were identified from the roots of Jasminum sambac, and 12 active components and 77 targets were screened. It mainly acted on multiple targets such as CYP19A1, NCOA2, PTGS1, AR, SLC6A2 and CA1, and affected multiple signaling pathways such as neuroactive ligand receptor interactions and cancer pathways, thereby exerting its effects. The molecular docking results showed that most active ingredients had good binding performance with their core targets, mainly interacting through hydrophobic bonds and hydrogen bonds.

Key words: Jasminum sambac, root, volatile oil, gaschromatography-mass spectrometry（GC-MS）, network pharmacology, the sedation and hypnosis effect