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利用网络药理学探讨栀子靶向铁死亡对酒精性肝病的作用机制
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Abstract:
目的：基于网络药理学研究栀子改善酒精性肝病的铁死亡机制。方法：利用TCMSP和UniProt数据库筛选栀子的潜在目标，然后整合OMIM、Drugbank、GeneCards和DisGeNET获取酒精性肝病的作用靶点，再在FerrDb预测作用在铁死亡的目标基因，构建蛋白质相互作用的网络以及富集分析，最后进行分子对接，探索分子机制。结果：筛选出栀子在治疗酒精性肝病中具体作用在铁死亡通路上的17个基因，再综合PPI、GO、KEGG以及分子对接情况分析HMOX1、TP53、MAPK1和RB1可能是主要靶点。结论：本研究从理论上证明了栀子影响铁死亡而改善酒精性肝病。
Objective: Based on network pharmacology, we investigated the mechanism of gardeniae fructus to improve ferroptosis in alcoholic liver disease. Methods: We screened potential targets for gardeniae fructus using TCMSP and UniProt, and then we obtained targets for alcoholic liver disease using OMIM, Drugbank, GeneCards and DisGeNET. On a database called FerrDb, we predicted the target genes for ferroptosis. We built a network diagram of protein interactions and enrichment analysis; finally, we explored the molecular mechanisms through molecular docking analysis of them. Results: We screened out 17 genes involved in the effect of gardeniae fructus on the ferroptosis pathway in the treatment of alcoholic liver disease, and we believed that HMOX1, TP53, MAPK1 and RB1 were the main targets through comprehensive PPI, GO, KEGG and molecular docking. Conclusion: Theoretically, this study demonstrates that gardeniae fructus improves alcoholic liver disease by influencing ferroptosis.
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