Network pharmacology- and molecular docking-based analyses of the antihypertensive mechanism of Ilex kudingcha

被引:17
作者
Liao, Fei [1 ,2 ]
Yousif, Muhammad [1 ]
Huang, Ruya [1 ]
Qiao, Yanlong [2 ]
Hu, Yanchun [1 ]
机构
[1] Sichuan Agr Univ, Coll Vet Med, Key Lab Anim Dis & Human Hlth Sichuan Prov, Wenjiang, Peoples R China
[2] Guizhou Vocat Coll Agr, Dept Anim Husb & Fisheries, Qingzhen, Peoples R China
关键词
Ilex kudingcha; hypertension; network pharmacology; molecular target; molecular dynamic simulations; BLOOD-PRESSURE; HYPERTENSION; PATHWAY; DISEASE; INCOME; MIDDLE; OBESE;
D O I
10.3389/fendo.2023.1216086
中图分类号
R5 [内科学];
学科分类号
1002 ; 100201 ;
摘要
Herein, network pharmacology was used to identify the active components in Ilex kudingcha and common hypertension-related targets. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were conducted, and molecular docking was performed to verify molecular dynamic simulations. Six active components in Ilex kudingcha were identified; furthermore, 123 target genes common to hypertension were identified. Topological analysis revealed the strongly associated proteins, with RELA, AKT1, JUN, TP53, TNF, and MAPK1 being the predicted targets of the studied traditional Chinese medicine. In addition, GO enrichment analysis revealed significant enrichment of biological processes such as oxidative stress, epithelial cell proliferation, cellular response to chemical stress, response to xenobiotic stimulus, and wound healing. Furthermore, KEGG enrichment analysis revealed that the genes were particularly enriched in lipid and atherosclerosis, fluid shear stress and atherosclerosis, and other pathways. Molecular docking revealed that the key components in Ilex kudingcha exhibited good binding potential to the target genes RELA, AKT1, JUN, TP53, TNF, and IL-6. Our study results suggest that Ilex kudingcha plays a role in hypertension treatment by exerting hypolipidemic, anti-inflammatory, and antioxidant effects and inhibiting the transcription of atherosclerosis-related genes.
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页数:16
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