Mechanism of action of Balanophora involucrata polyphenolic compounds in the treatment of myocardial injury based on network pharmacology and molecular docking techniques

Shipeng Duan , Ting Gao , Feifei Li , Xuehan Li , Haojun Shen , Fang Wang , Xiaoshu Zhang

Journal of Polyphenols ›› 2024, Vol. 6 ›› Issue (2) : 45 -55.

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Journal of Polyphenols ›› 2024, Vol. 6 ›› Issue (2) :45 -55.
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Mechanism of action of Balanophora involucrata polyphenolic compounds in the treatment of myocardial injury based on network pharmacology and molecular docking techniques
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Abstract

The objective of this work was to investigate the mechanism of action of Balanophora involucrata polyphenolic compounds in the treatment of myocardial injury. In the present study, Balanophora involucrata was extracted by refluxing 75% of ethanol. The obtained extract was extracted with petroleum ether, ethyl acetate and n-butanol respectively. And the ethyl acetate layer was separated. The extract was prepared by silica gel column chromatography, sephadex LH-20 elution and thin layer chromatography. After that, the Swiss target prediction database was utilized to obtain the targets of Balanophora involucrata, and the Genecards, OMIM and TTD databases were used to predict and screen the targets of Balanophora involucrata for the treatment of myocardial injury. The active ingredient-target network was constructed using Cytoscape software, and the PPI network was mapped using String database and Cytoscape software. GO bioprocess enrichment analysis and KEGG pathway enrichment analysis were performed by Metascape software to predict the mechanism of action. Molecular docking was performed in Discovery Studio 2016 client software to verify the binding of Balanophora involucrata polyphenols to key targets. In this study, six polyphenolic compounds were isolated from Balanophora involucrata. By GO enrichment analysis, 1 614 biological processes (BP), 127 cellular compositions (CC), and 215 molecular functions (MF) were obtained; a total of 155 cross-targets were involved in the KEGG enrichment analysis. The PPI network showed that quercetin was the main active component of polyphenolic compounds against myocardial injury and that AKT1, EGFR, STAT3, SRC, ESR1, MMP9, HSP90AA1 and other related signals were associated with myocardial injury treatment. Finally, the multi- component-multi-target-multi-pathway action of Balanophora involucrata was concluded, which provided new ideas and methods for further research on the mechanism of action of Balanophora involucrata in myocardial injury.

Keywords

Balanophora involucrata / myocardial injury / phenolic compounds / network pharmacology / molecular docking

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Shipeng Duan, Ting Gao, Feifei Li, Xuehan Li, Haojun Shen, Fang Wang, Xiaoshu Zhang. Mechanism of action of Balanophora involucrata polyphenolic compounds in the treatment of myocardial injury based on network pharmacology and molecular docking techniques. Journal of Polyphenols, 2024, 6(2): 45-55 DOI:

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Funding

National Training Program of Innovation and Entrepreneurship for Undergraduates(202310163020)

National Training Program of Innovation and Entrepreneurship for Undergraduates(S202310163079)

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