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Combinatorial Chemistry & High Throughput Screening

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ISSN (Print): 1386-2073
ISSN (Online): 1875-5402

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Research Article

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

Author(s): Bai He, Shuangkou Chen*, Mingxin Xu, Xiaoqing Tan, Yinying Guo, Hang Jie and Jiansheng Huang

Volume 26, Issue 2, 2023

Published on: 15 June, 2022

Page: [362 - 372] Pages: 11

DOI: 10.2174/1386207325666220516144836

Price: $65

Abstract

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 antiinflammatory 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.

Background: Non-steroidal anti-inflammatory drugs, such as aspirin, have beneficial effects in the treatment of inflammation but they often have undesired side effects. In contrast, various natural remedies, with their unique natural, safe and effective ingredients, have achieved good effects in the treatment of inflammation and become widely used for anti-inflammatory medication.

Objective: To provide scientific basis for exploring the material basis and mechanism of antiinflammatory 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 antiinflammatory action of blueberry.

Keywords: Blueberry, network pharmacology, molecular docking, anti-inflammatory, material basis, bioactivity.

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[1]
Duan, P.; Liu, Y.; Li, J. The comparative efficacy and safety of topical non-steroidal anti-inflammatory drugs for the treatment of anterior chamber inflammation after cataract sur-gery: A systematic review and network meta-analysis. Graefes Arch. Clin. Exp. Ophthalmol., 2017, 255(4), 639-649.
[http://dx.doi.org/10.1007/s00417-017-3599-8] [PMID: 28130595]
[2]
Felgus-Lavefve, L.; Howard, L.; Adams, S.H.; Baum, J.I. The effects of blueberry phytochemicals on cell models of in-flammation and oxidative stress. Adv. Nutr., 2021, nmab137.
[http://dx.doi.org/10.1093/advances/nmab137] [PMID: 34791023]
[3]
Wei, L.S.; Zhang, J.J.; Kang, Y.H. Inhibitory effect of Blue-berry anthocyanin on human gastric adenocarcinoma BGC-823 cells in vivo and in vitro. Pharmacol. Clin. Chin Mater. Med., 2015, 31(6), 43-46.
[4]
Russell, C.; Keshavamurthy, S.; Saha, S. Nutraceuticals in the management of cardiovascular risk factors: Where is the evi-dence? Cardiovasc. Hematol. Disord. Drug Targets, 2021, 21(3), 150-161.
[http://dx.doi.org/10.2174/1871529X21666211201104124] [PMID: 34852755]
[5]
Nunes, S.; Viana, S.D.; Preguiça, I.; Alves, A.; Fernandes, R.; Teodoro, J.S.; Matos, P.; Figueirinha, A.; Salgueiro, L.; André, A.; Silva, S.; Jarak, I.; Carvalho, R.A.; Cavadas, C.; Rolo, A.P.; Palmeira, C.M.; Pintado, M.M.; Reis, F. Blueberry coun-teracts prediabetes in a hypercaloric diet-induced rat model and rescues hepatic mitochondrial bioenergetics. Nutrients, 2021, 13(12), 4192.
[http://dx.doi.org/10.3390/nu13124192] [PMID: 34959746]
[6]
Wang, J.; Ma, Y.M.; Lu, W.J. Purification and analgesic and anti-inflammatory effect of anthocyanins from blueberry. Sci. Technol. Food Ind., 2013, 34(5), 338-340.
[7]
Li, C.Y.; Fu, L.; Huang, W.Y. Vasodilator and anti-inflammatory effects of quercetin and hyperin from blueberry leaves identified by hplc-ms in umbilical vein endothelial cells. Xiandai Shipin Keji, 2017, 33(1), 20-25.
[8]
Huang, W.Y.; Liu, Y.M.; Wang, J.; Wang, X.N.; Li, C.Y. Anti-inflammatory effect of the blueberry anthocyanins malvidin-3-glucoside and malvidin-3-galactoside in endothelial cells. Molecules, 2014, 19(8), 12827-12841.
[http://dx.doi.org/10.3390/molecules190812827] [PMID: 25153881]
[9]
Li, X.; Wu, L.; Liu, W.; Jin, Y.; Chen, Q.; Wang, L.; Fan, X.; Li, Z.; Cheng, Y. A network pharmacology study of Chinese medicine QiShenYiQi to reveal its underlying multi-compound, multi-target, multi-pathway mode of action. PLoS One, 2014, 9(5), e95004.
[http://dx.doi.org/10.1371/journal.pone.0095004] [PMID: 24817581]
[10]
Gao, Y.; Gao, L.; Gao, X.X.; Zhou, Y.Z.; Qin, X.M.; Tian, J.S. An exploration in the action targets for antidepressant bioac-tive components of Xiaoyaosan based on network pharma-cology. Yao Xue Xue Bao, 2015, 50(12), 1589-1595.
[PMID: 27169281]
[11]
Li, X.; Wu, L.; Fan, X.; Zhang, B.; Gao, X.; Wang, Y.; Cheng, Y. Network pharmacology study on major active compounds of Fufang Danshen formula. Zhongguo Zhongyao Zazhi, 2011, 36(21), 2911-2915.
[PMID: 22308672]
[12]
Hu, Q.L.; Xin, X.L.; Sun, H.Y. Research progresses on blue-berry of phytochemical constituents. Techan Yanjiu, 2017, 39(1), 52-63.
[13]
Liu, Z.; Guo, F.; Wang, Y.; Li, C.; Zhang, X.; Li, H.; Diao, L.; Gu, J.; Wang, W.; Li, D.; He, F. BATMAN-TCM: A bioinfor-matics analysis tool for molecular mechanism of traditional Chinese medicine. Sci. Rep., 2016, 6(1), 21146-21157.
[http://dx.doi.org/10.1038/srep21146] [PMID: 26879404]
[14]
Pelosi, L.; Giacinti, C.; Nardis, C.; Borsellino, G.; Rizzuto, E.; Nicoletti, C.; Wannenes, F.; Battistini, L.; Rosenthal, N.; Moli-naro, M.; Musarò, A. Local expression of IGF-1 accelerates muscle regeneration by rapidly modulating inflammatory cy-tokines and chemokines. FASEB J., 2007, 21(7), 1393-1402.
[http://dx.doi.org/10.1096/fj.06-7690com] [PMID: 17264161]
[15]
Gohlke, H.; Hendlich, M.; Klebe, G. Knowledge-based scor-ing function to predict protein-ligand interactions. J. Mol. Biol., 2000, 295(2), 337-356.
[http://dx.doi.org/10.1006/jmbi.1999.3371] [PMID: 10623530]
[16]
Wu, W.; Zhang, H.J.; Gu, Z.Q. Pterostilbene inhibits inflam-mation in rat nucleus pulposus by promoting the nuclear translocation of Nrf2. Chin. J. Cell Biol., 2016, 38(10), 1214-1221.
[17]
Wang, L.J.; Deng, T.X.; Zhang, J.L. Resveratrol ameliorates inflammatory pain via inhibiting the COX-2/PGE2 signaling pathway in mice. Pharmacol. Clin. Chin. Mater. Med., 2017, 33(4), 35-38.
[18]
Li, Z.; Yang, S.; Lin, H.; Huang, J.; Watkins, P.A.; Moser, A.B.; Desimone, C.; Song, X.Y.; Diehl, A.M. Probiotics and antibodies to TNF inhibit inflammatory activity and improve nonalcoholic fatty liver disease. Hepatology, 2003, 37(2), 343-350.
[http://dx.doi.org/10.1053/jhep.2003.50048] [PMID: 12540784]
[19]
Han, C.J.; Cheng, A.W.; Chen, X.Y. Effects of blueberry pol-yphenols on the expression of iNOS and COX-2 genes in macrophages. Shipin Kexue, 2014, 35(19), 144-148.
[20]
Lin, H.; Leng, J.Y.; Yu, J. Effects of blueberry anthocyanins on expression of Bax and Caspase-3 genes regulating apopto-sis in human umbilical vein endothelial cells. Zhongguo Laonianxue Zazhi, 2015, 35(15), 4157-4158.

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