The mechanisms of Yinchenhao Decoction in the treatment of alcoholic fatty liver disease:a network pharmacology and molecular docking study
Objective:Based on network pharmacology and molecular docking techniques,this study explores the potential molecular mechanisms underlying the therapeutic effects of Yinchenhao Decoction in the treatment of alcoholic fatty liver disease (AFLD).Methods:The main active components of Yinchenhao Decoction were obtained from the TCMSP database,and the molecular targets were identified using the UniProt database.Gene targets related to AFL were retrieved and filtered from the Genecards,DisGeNET,and PharmGKB platforms.R was employed to identify common targets and visualize the results.The intersection of the Chinese medicine components'targets with those of AFL-related diseases was used to identify potential therapeutic targets for Yinchenhao Decoction in treating alcoholic fatty liver disease.A drug-active component-target network was constructed using Cytoscape 3.9.1,and protein-protein interaction (PPI)analysis was conducted via the STRING database.GO functional annotation and KEGG enrichment analysis of key targets were performed using the DAVID platform.Molecular docking was then carried out between the identified active components and core targets.Results:A total of 42 active ingredients from Yinchenhao Decoction were identified,along with 126 potential targets.A total of 6564 gene targets related to alcoholic fatty liver disease were retrieved,and 99 common drug-disease targets were found,including core components such as quercetin,kaempferol,β-sitosterol,and isoquercitrin.The top targets with higher degrees of connectivity include TP53,IL-6,MYC,ESR1,CASP3,HIF1A,PPARG,EGFR,CCND1,and FOS.Gene ontology (GO)enrichment analysis revealed 1317 biological processes,131 molecular functions,and 17 cellular components.Key targets were primarily located in membrane rafts,membrane microdomains,sarcoplasmic reticulum,and cytoplasm,and were involved in biological processes such as inflammation,oxidative stress response,RNA polymerase Ⅱ-specific DNA binding transcription factor binding,and transcription core regulator binding.KEGG pathway analysis identified 112 signaling pathways,including lipid and atherosclerosis pathways,MAPK signaling,chemical carcinogenesis-reactive oxygen species,apoptosis,TNF signaling,and prolactin signaling.Molecular docking results showed that five active components quercetin,kaempferol,β-sitosterol,isoquercitrin,and sitosterol formed stable bindings with the six core proteins TP53,IL-6,MYC,ESR1,CASP3,and PPARG.Conclusion:Quercetin β-Core components such as sitosterol and isorhamnosin may act on key targets such as TP53,IL-6,MYC,ESR1,PPARG,and exert therapeutic effects by participating in multiple signaling pathways such as MAPK,TNF,and prolactin.
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