NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2023, Vol. 35 ›› Issue (8): 1305-1313.doi: 10.16333/j.1001-6880.2023.8.003

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Predictive analysis of quality markers of Atractylodis Macrocephalae Rhizoma volatile oil based on GC-MS fingerprint and network pharmacology

WU Jiao-jiao,LIU Dong,ZHANG Li, XIA Jia,YANG Yu,TANG Fei,CHEN Lu,AO Hui*   

  1. College of Pharmacy,Chengdu University of Traditional Chinese Medicine,Chengdu 611137,China
  • Online:2023-08-28 Published:2023-08-30

Abstract:

To analyze and predict the potential quality markers of Atractylodis Macrocephalae Rhizoma volatile oil (AMO) based on fingerprint and network pharmacology,11 batches of AMO was analyzed by gas chromatography-mass spectrometry (GC-MS),and similarity evaluation,principal component analysis (PCA) and cluster analysis were carried out,and the Q-Marker candidate components in the volatile oil were screened.Target collection and network pharmacological analysis were carried out to build a "component-target-pathway" network and predict the Q-Marker of AMO.The fingerprints of AMO were established with similarities greater than 0.990,indicating that consistency in the composition of AMO from different origins and batches.PCA analyses showed a more concentrated distribution of AMO from the Zhejiang,and HCA analyses showed that when the classification distance was 15,four batches of AMO from the Zhejiang region were clustered into one group,indicating that the volatile oil quality of AMO from the Daoji region was more stable.Ten Q-Marker candidates were obtained after GC-MS analysis,19 key targets and 66 pathways were obtained from the network pharmacological analysis,and palmitic acid,β-eudesmol,γ-elemene,elemene and atractylone were the Q-Markers of AMO according to the preliminary prediction,providing a theoretical reference for quality control of Atractylodis Macrocephalae Rhizoma and other Traditional Chinese herbs.

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