Study on Anti-inflammatory Mechanism of Blueberry based on Network Pharmacology and Molecular Docking Technology

被引:0
|
作者
He, Bai [1 ]
Chen, Shuangkou [1 ]
Xu, Mingxin [1 ]
Tan, Xiaoqing [1 ]
Guo, Yinying [1 ]
Jie, Hang [2 ]
Huang, Jiansheng [1 ]
机构
[1] Chongqing Univ Sci & Technol, Dept Chem & Chem Engn, Chongqing 401331, Peoples R China
[2] Inst Med Plant Cultivat, Chongqing 408435, Peoples R China
关键词
Blueberry; network pharmacology; molecular docking; anti-inflammatory; material basis; bioactivity;
D O I
10.2174/1386207325666220516144836
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
The Batman-TCM research platform based on network pharmacology was used to predict the reverse targets of 11 active components of blueberry. The anti-inflammatory target genes of these components were extracted by comparing them with the anti-inflammatory drug target genes in the GeneCards database. GO enrichment and KEGG pathway, as well as protein interaction analysis of these anti-inflammatory target genes, were carried out using the String database. The anti-inflammatory component-target-action pathway map of blueberry was constructed using the Cytoscape software. The molecular docking between seven components and two targets was validated using the Autodock-vina program. The results showed that 7 components had anti-inflammatory activity and acted on 84 anti-inflammatory targets. KEGG and GO analysis showed that the main active components of blueberry could inhibit inflammation by inhibiting the production of inflammatory factors and enhancing immunity. Network analysis revealed that the main anti-inflammatory targets of blueberry active components were TNF, ESR1, AGTR1, and IGF1. Based on molecular docking analysis, the main components of blueberry integrate with 2 important targets in inflammatory networks. Collectively, we characterized the anti-inflammatory effect of blueberry by multi-component, multi-target, and multi-pathway. The molecular mechanism of the multi-target effect of blueberry was preliminarily expounded, thereby providing a scientific basis for exploring the material basis and mechanism of the anti-inflammatory action of blueberry. Objective: To provide scientific basis for exploring the material basis and mechanism of anti-inflammatory action of blueberry. Methods: The anti-inflammatory target genes of these components were extracted by comparing them with the anti-inflammatory drug target genes in the GeneCards database. GO enrichment and KEGG pathway, as well as protein interaction analysis of these anti-inflammatory target genes, were carried out by using the String database. The anti-inflammatory component-target-action pathway map of blueberry was constructed using the Cytoscape software. The molecular docking between seven components and two targets was validated using the Autodock-vina program. The results showed that 7 components had anti-inflammatory activity and acted on 84 anti-inflammatory targets. Results: 7 components had anti-inflammatory activity and acted on 84 anti-inflammatory targets. KEGG and GO analysis showed that the main active components of blueberry could inhibit inflammation by inhibiting the production of inflammatory factors and enhancing immunity. Network analysis revealed that the main anti-inflammatory targets of blueberry active components were TNF, ESR1, AGTR1 and IGF1. Based on molecular docking analysis, the main components of blueberry integrate with 2 important targets in inflammatory networks. Conclusion: The molecular mechanism of the multi-target effect of blueberry was preliminarily expounded, thereby providing a scientific basis for exploring the material basis and mechanism of anti-inflammatory action of blueberry.
引用
收藏
页码:362 / 372
页数:11
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