NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2021, Vol. 33 ›› Issue (10): 1758-1768. doi: 10.16333/j.1001-6880.2021.10.017

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Study on the anti-aging mechanism of Erigeron breviscapus based on network pharmacology and molecular docking

PU Yuan-zhu1,SU Can2*,ZHU Yi-tao1,XIAO Qing-qing1,ZHANG Ting-feng1,LI Heng-yao1,ZHOU Rong-yi1   

  1. 1School of Chinese Materia Medica,Yunnan University of Chinese Medicine,Kunming 650500,China; 2Yunnan Provincial Academy of Science and Technology,Kunming 650051,China

  • Online:2021-10-28 Published:2021-10-28

Abstract:

To investigate the potential anti-aging mechanism of Erigeron breviscapus,the components that can be absorbed into blood after oral administration of E. breviscapus were collected,and the potential targets of these absorbed components for anti-aging were predicted via STITCH,SwissTargetPredictio,TCMSP and HAGR databases,biological function analysis and pathway analysis of the predicted potential targets for anti-aging were undertaken through the DAVID and STRING platforms,protein-protein interaction network and absorbed component-target network were constructed using STRING platform and Cytoscape software,then the results of network analysis were verified by molecular docking using Discovery Studio software.A total of 30 components orally absorbed from E. breviscapus were retrieved,including 13 flavonoids,11 caffeoyl quinic acids and six others,they may act on 37 aging-related targets,and these targets are involved in biological processes such as replicative senescence and cellular senescence and pathways including lifespan regulation and tumor regulation,and so on.Network analysis showed that TP53,AKT1,RB1,HRAS,HDAC1,SIRT1 are the vital anti-aging targets of E. breviscapus,and the flavonoids quercetin,apigenin,luteolin,baicalein,kaempferol,naringenin are important bioactive components for anti-aging.The molecular docking analysis verified that these flavonoids have good binding capacity with TP53,AKT1,HDAC1,SIRT1;in addition,nine caffeoyl quinic acids have good binding capacity with these four targets too;these absorbed components mainly binded to these four targets with hydrogen bonds and π bonds.This study preliminarily revealed that the flavonoids and caffeoyl quinic acids could be the potential active components of  E. breviscapus for anti-aging,and could play an anti-aging effect by regulating biological processes and pathways associated with aging,tumors and others,the findings in this study offer ideas for subsequent experimental studies


Key words: Erigeron breviscapus, anti-aging, network pharmacology, molecular docking, mechanism

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