NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2021, Vol. 33 ›› Issue (7): 1214-1222.doi: 10.16333/j.1001-6880.2021.7.017

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Mechanism of safflower on ischemic stroke based on network pharmacology and molecular docking

LIANG Rui-min1,2,WANG Kai1,2,CHEN Yue1,2,CAO Jin-yi2,QIAO Yi2,FENG Zhi-jun2,YANG Zhi-fu2*   

  1. 1School of Pharmacy,Shaanxi University of Chinese Medicine,Xianyang 712046,China;2Department of Pharmacy,Xijing Hospital,Air Force Military Medical University,Xi′an 710032,China

  • Online:2021-07-28 Published:2021-07-30

Abstract:

In this study,network pharmacology and molecular docking were used to explore the main active components and targets of safflower in the treatment of ischemic stroke.The common targets of safflower and ischemic stroke disease were searched by TCMSP,Genecards,Venny and DAVID databases,and the interaction network diagram was drawn.GO and KEGG enrichment analysis were performed.AutoDock Tools was used to verify the molecular docking between the main active components of safflower and key targets.Twenty-two safflower active ingredients and 459 related targets were collected from TCMSP database,and the target gene names were converted by Uniprot.Then 73 common targets of safflower active ingredients and ischemic stroke disease were obtained in Venny 2.1.0,and the network diagram of “safflower-active ingredients-cerebral ischemia common target” was constructed.Molecular docking results showed that the main active components showed good affinity to key targets,respectively.Therefore,the combination of the main active components of safflower with key targets to regulate AGE-RAGE,TNF and IL-17 signaling pathways may be an important mechanism of safflower in the treatment of ischemic stroke.

Key words: safflower, ischemic stroke, network pharmacology, molecular docking

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