NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2022, Vol. 34 ›› Issue (4): 687-698.doi: 10.16333/j.1001-6880.2022.4.017

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Study on the material basis of Anemarrhenae Rhizoma-Phellodendri Chinensis Cortex against inflammation based on network pharmacology,molecular docking and experimental verification

SU Meng1,TAN Fu-xiong2,LYU Jie1,LEI Li-yan1*   

  1. 1Shaanxi Innovative Drug Research Center,State Key Laboratory of Research & Development of Characteristic Qin Medicine Resources (Cultivation),Co-construction Collaborative Innovation Center for Chinese Medicine Resources Industrialization by Shaanxi & Education Ministry,Shaanxi University of Chinese Medicine,Xianyang 712083,China;2Xi’an Traditional Chinese Medicine Encephalopathy Hospital,Xi’an 710000,China
  • Online:2022-04-29 Published:2022-04-29

Abstract:

In this study,the action targets and inflammation-related targets of chemical constituents of Anemarrhenae Rhizoma-Phellodendri Chinensis Cortex were searched,and their functions and pathways were predicted and analyzed.The targets were verified by molecular docking.The content of anhydroicaritin with the highest score in molecular docking was determined by HPLC-MS,and the effects of Anemarrhenae Rhizoma-Phellodendri Chinensis Cortex and anhydroicaritin were verified by cell experiments to explore the material basis and mechanism of Anemarrhenae Rhizoma-Phellodendri Chinensis Cortex against inflammation.Fifty-two compounds,619 action targets and 538 disease targets were obtained by searching.The intersection targets included PRSS1,PTGS1,PPARG,NR3C1,RELA,VEGFA,CASP3 and CASP8,etc.The core components of quercetin, anhydroicaritin and β-sitosterol were screened.KEGG results showed that the main anti-inflammatory pathways included TNF signaling pathway,AGE-RAGE signaling pathway and sporangia virus infection.Molecular docking results showed that the core chemical composition of anhydroicaritin had high binding activity with the core target PPARG.The content determination results showed that the content of anhydroicaritin in Anemarrhenae Rhizoma-Phellodendri Chinensis Cortex was 18.04%.Cell experiments showed that Anemarrhenae Rhizoma-Phellodendri Chinensis Cortex and anhydroicaritin could significantly inhibit the production of NO,TNF-α and IL-6.Therefore,the material basis of Anemarrhenae Rhizoma-Phellodendri Chinensis Cortex in the treatment of inflammation is mainly composed of Anhydroicaritin,which may play an anti-inflammatory role through TNF pathway.

Key words: Anemarrhenae Rhizoma-Phellodendri Chinensis Cortex, anti-inflammation, network pharmacology, molecular docking

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