NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2024, Vol. 36 ›› Issue (2): 279-292.doi: 10.16333/j.1001-6880.2024.2.011

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Study on the active components and mechanism of Callicarpa nudiflora against H1N1 based on UPLC-Q-Exactive-Orbitrap-MS,network pharmacology and experimental validation

YANG Ying1,SHAO Jun-jing3,XU Jin-ke4,CHEN Yan2,TIAN Jing-zhen1*,HOU Lin2*   

  1. 1College of Pharmacy,Shandong University of Traditional Chinese Medicine,Jinan 250355,China; 2Qingdao Academy of Chinese Medical Science,Shandong University of Traditional Chinese Medicine,Qingdao 266000,China;3College of Basic Medicine,Jining Medical University,Jining 272067,China;4Shandong Center for Disease Control and Prevention,Jinan 250014,China
  • Online:2024-02-23 Published:2024-02-23

Abstract:

In this experiment,the extracts of Callicarpa nudiflora were extracted to obtain different extraction parts,and then the sites were screened for anti-influenza A virus H1N1 (H1N1) activity,and it was determined that the ethyl acetate extraction part of Callicarpa nudiflora (EACN) had better anti-H1N1 activity in vitro.Qualitative analysis of EACN by ultra performance liquid chromatography-quaternary/orbitrap-high resolution mass spectrometry (UPLC-Q-Exactive-Orbitrap-MS) technique was performed.Based on the results of qualitative analysis,data mining and network pharmacology were further used to evaluate the active ingredients,key targets and critical pathways of the drug.Finally,the prediction results were validated using the H1N1 infected BALB/c mouse model.The results showed that the ethyl acetate extract had the best anti-H1N1 effect in vitro,with half inhibitory concentration (IC50) of 51 μg/mL,half cytotoxic concentration (CC50) of 859.4 μg/mL,and selection index (SI,CC50/IC50) value of 16.85.Thirty-four compounds were identified from EACN.On this basis,67 drug targets related to EACN anti-H1N1 were screened using network pharmacology,including 491 biological processes and 147 pathways related to anti-H1N1.The experimental results of H1N1 infected BALB/c mice showed that EACN could improve the weight loss and lung index increase caused by H1N1 infection,reduce the viral load of mouse lung tissue,alleviate the pathological injury of mouse lung tissue,and reduce the levels of TNF-α,IFN-γ and IL-1β in peripheral blood serum.The results suggest that EACN may play an anti-H1N1 role in many ways,such as direct inhibition of virus,anti-inflammatory effect and immunomodulatory effect.

Key words: Callicarpa nudiflora, H1N1, network pharmacology, UPLC-Q-Exactive-Orbitrap-MS

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