LIU Yingying, ZHANG Jingyuan, TAN Yingying, et al. Mechanism of Huazhi Rougan Granules in the Treatment of Non-Alcoholic Fatty Liver Disease Based on Network Pharmacology and Molecular Docking[J]. 2022,22(4):395-400.
LIU Yingying, ZHANG Jingyuan, TAN Yingying, et al. Mechanism of Huazhi Rougan Granules in the Treatment of Non-Alcoholic Fatty Liver Disease Based on Network Pharmacology and Molecular Docking[J]. 2022,22(4):395-400. DOI: 10.14009/j.issn.1672-2124.2022.04.003.
OBJECTIVE: To probe into the potential mechanism of Huazhi Rougan Granules in the treatment of non-alcoholic fatty liver disease(NAFLD) based on network pharmacology and molecular docking. METHODS: The drug compound targets were screened by using the Traditional Chinese Medicine Systematic Pharmacology Database and Analysis Platform and the Encyclopedia of Chinese Medicine database
the disease targets of NAFLD were screened by using the GeneCards database and DigSee database
so that the related networks were constructed. Gene ontology function enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment analysis were performed for the shared targets by using R language. Finally
the molecular docking verification of key compounds and core targets was conducted
and the results were visualized by using Pymol software. RESULTS: The predicted core compounds were quercetin
kaempferol
luteolin and wogonin
the core targets were signal transduction and activating transcription factor 3
JUN
interleukin-6
tumor necrosis factor
CXCL8
vascular endothelial growth factor A
epidermal growth factor
interleukin-1β
chemokine ligand 2 and TP53. The results of KEGG pathway enrichment analysis showed that the pathways were associated with infectious diseases
immune system
endocrine and metabolic diseases
such as the AGE-RAGE signaling pathway
human cytomegalovirus infection and other signaling pathways in diabetic complications. CONCLUSIONS: The results of this study have initially validated and predicted the mechanism of Huazhi Rougan granules in the treatment of NAFLD
which laid a good foundation for further insight into its mechanism of action.