NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2021, Vol. 33 ›› Issue (8): 1391-1400.doi: 10.16333/j.1001-6880.2021.8.015

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Study on the mechanism of triterpenoids from Inonotus obliquus against gastric cancer based on network pharmacology and molecular docking

CHENG Huan-huan1,SONG Hui2,LIU Bo-nan1,JI Chen-feng2,SUN Xiang-ming1,LI Wen-lan1*,QU Zhong-yuan1*   

  1. 1School of Pharmacy,Harbin University of Commerce;2Drug Engineering Technology Research Center,Harbin University of Commerce,Harbin 150076,China

  • Online:2021-08-28 Published:2021-08-30

Abstract:

In this study,the possible mechanism of triterpenoids from Inonotus obliquus against gastric cancer was discussed by means of network pharmacology and molecular docking.Twenty-four triterpenoid active components of Inonotus obliquus  were obtained by consulting literature,searching TCMSP database and screening by SwissADME,including betulinic acid and inotodiol.There are 56 potential targets for active ingredients,including CASP3,MAPK1,etc.Based on DAVID database,the results of GO function analysis and KEGG pathway enrichment analysis showed that the anti-gastric cancer mechanism of triterpenoids from Inonotus obliquus  was mainly related to changing the activity of DNA binding transcriptional activator and signal transduction,the main signal pathways involved are TNF signaling pathway,pathway in cancer,MAPK signaling pathway and so on.The results of molecular docking between active components and key target proteins showed that 24 active components had good binding with five proteins:CASP3,MAPK1, NFKB1,MAPK8 and ALB.To sum up,the triterpenoids of Inonotus obliquus  have multi-component,multi-target and multi-channel regulating effects on gastric cancer.

Key words: triterpenoids from Inonotus obliquus, gastric cancer, network pharmacology, molecular docking, molecular mechanisms

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