NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2021, Vol. 33 ›› Issue (5): 847-858.doi: 10.16333/j.1001-6880.2021.5.017

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Study on the mechanism of action of Folium Mori-Flos Chrysanthemi on hypertension based on network pharmacology and molecular docking

GUO Jin-chen1,2,WANG Jing2*,SUN Yu-jie1,FENG Ye1   

  1. 1Graduate School of Anhui University of Traditional Chinese medicine,Hefei 230012,China;2Anhui University of Traditional Chinese Medicine Xin'an Key Laboratory of Medical Education,Hefei 230038,China

  • Online:2021-05-28 Published:2021-06-01

Abstract:

This study aims to explore the potential molecular mechanism of Folium Mori-Flos Chrysanthemi(FM-FC) on the treatment of hypertension by network pharmacology and molecular docking methods.Firstly,the gene chip data was downloaded from GEO database,differentially expressed genes were screened with R language limma package,the effective components and corresponding target proteins of FM-FC were screened from Traditional Chinese Medicine System Pharmacology Database(TCMSP),the intersection targets of drugs and diseases were extracted with Venn software,the construction of "compound-target" network and visual analysis were completed by Cytoscape3.7.2 software,the protein network interaction and topology analysis of key targets were performed by Bisogenet and CytoNCA plug-ins.Then,David database and R language clusterProfiler package were used for GO function enrichment and KEGG pathway analysis of key targets.Finally,the results of active components and key targets were verified by AutoDock Vina software.The results showed that FM-FC acted on 41 targets of hypertension,156 core target information was revealed by topological analysis.A total of 80 enrichment results including 52 biological processes,13 molecular functions and 15 cell composition were obtained through GO analysis.KEGG pathway analysis found 39 items,involving IL-17 signal pathway,fluid shear stress and atherosclerosis signal pathway,TNF signal pathway,etc.The molecular docking results showed that quercetin and luteolin were components that docked well with key targets.We have revealed preliminarily that FM-FC exerts a hypotensive effect through the synergistic effect of "multi-component-multi-target-multi-pathway" in this study,which will lay a foundation for further study of its material basis and mechanism of action.

Key words: Folium Mori-Flos Chrysanthemi, hypertension, network pharmacology, molecular docking, mechanism of action

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