摘要
[Objectives]The paper was to explore the pharmacodynamic substances and mechanism of Atractylodes macrocephala in treating primary dysmenorrhea(PD).[Methods]The components of A.macrocephala were qualitatively identified by ultra high performance liquid chromatography quadrupole-time of flight mass spectrometry(UPLC-MS)combined with analyst TF 1.7.1 and peakview 2.2 software with reference to internal databases and literatures.The chemical components of A.macrocephala and the target of PD were collected by using network pharmacological data.The common genes were analyzed by Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)of genes and genomes with the help of String database and Metascape platform,and the affinity between core molecules and key targets was verified.[Results]A total of 23 chemical components of A.macrocephala were identified,and 301 gene targets of chemical components of A.macrocephala,614 targets of PD,and 25 intersection targets were obtained.GO analysis results obtained 505 biological processes,11 cellular components,and 33 molecular functions.KEGG pathway analysis showed that it mainly involved TNF signaling pathway,IL-17 signaling pathway,estrogen receptor signaling pathway and arachidonic acid metabolism.The top 4 targets of PPI network centrality and the top 5 compounds of A.macrocephala-component-target-disease network centrality were selected for docking.The docking results showed that atractylenolide I,Selinar-4(15),7(11)-dien-8-one,and atractylenolide II had strong binding ability.[Conclusions]A.macrocephala may exert a curative effect on PD by targeting atractylenolide I,Selinar-4(15),7(11)-dien-8-one,and atractylenolide II on key targets such as TNF,IL6,IL1β,PTGS2 to regulate cellular TNF signaling pathway,IL-17 signaling pathway,estrogen receptor signaling pathway,and arachidonic acid metabolism.
基金
Youth Science Foundation Project of National Natural Science Foundation of China(82104384)
Science and Technology Research Project of Colleges and Universities in Hebei Province(QN2021008)
Research Start-up Fund for High-level Talents of Chengde Medical University(202103)
Key Discipline Construction Project of Colleges and Universities in Hebei Province(JJG[2013]4)
"Technology Innovation Guidance Special-Science and Technology Work Consultation"Project of Hebei Provincial Department of Science and Technology
Youth PI Science and Technology Innovation Team of TCM Pharmacodynamic Substance Foundation of Chengde Medical University.
