基于网络药理学探讨水红花子抗肝硬化机制

为进一步研究水红花子的药用物质基础,利用网络药理学和分子对接技术探讨了水红花子治疗肝硬化的作用机制.首先利用中药系统药理学数据库与分析平台(TCMSP)、人类基因数据库(GeneCards)、蛋白质-蛋白质相互作用网络功能富集分析平台(STRING)建立了水红花子有效成分 - 肝硬化的靶点基因网络,然后利用基因本体(gene ontology,GO)、京都基因和基因组百科全书(Kyoto encyclopedia of genes and genomes, KEGG)富集分析和分子对接手段研究了水红花子的抗肝硬化机制.研究结果显示:水红花子治疗肝硬化的成分可能是具有保肝功能的β- 谷甾醇、山奈酚、儿茶素、圣草酚、槲皮素,作用靶点可能为IL - 6、VEGFA、AKT1、TP53、CXCL8、TNF; 水红花子参与抗肝硬化的生物学过程可能有凋亡负调控、程序性细胞死亡负调控、细胞增殖调控等,相关信号通路可能包括癌症通路、细胞因子 - 细胞因子受体相互作用、Toll样受体信号通路等; 槲皮素、山奈酚与AKT1的结合能和呋塞米与AKT1的结合能相似.该研究结果可为后续研究水红花子抗肝硬化的机制提供理论依据.

Mechanism of Fructus polygoni orientalis in treatment of liver cirrhosis based on network pharmacology

To further investigate the medicinal substance basis of Fructus polygoni orientalis, the mechanism of action of Fructus polygoni orientalis in the treatment of liver cirrhosis was explored using network pharmacology and molecular docking technique. Firstly, using Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP), Human Gene Database(GeneCards), Protein - Protein Interaction Networks Function Enrichment Analysis Platform(STRING)to establish the effective component of Fructus polygoni orientalis - target genes of liver cirrhosis network, the anti - liver cirrhosis mechanism of Fructus polygoni orientalis was then investigated by GO(gene ontology)and KEGG(Kyoto encyclopedia of genes and genomes)enrichment analysis of the intersecting genes of Fructus polygoni orientalis and liver cirrhosis, combined with molecular docking method.The results of the study show that the effective components for the treatment of liver cirrhosis of the Fructus polygoni orientalis may be β - sitosterol, kaempferol, catechin, eriodictyol, quercetin, which have the function of protecting the liver, the targets of action may be IL - 6, VEGFA, AKT1, TP53, CXCL8, TNF; Fructus polygoni orientalis is involved in the biological processes of treating liver cirrhosis, which may include negative regulation of apoptosis, negative regulation of programmed cell death, regulation of cell proliferation and so on. The signal pathways related to the treatment of liver cirrhosis by Fructus polygoni orientalis may include pathways in cancer, cytokine - cytokine receptor interaction, toll - like receptor signaling pathway and so on. In addition, the binding energies of quercetin and kaempferol with AKT1 are similar to those of furosemide. The results of this study may provide a theoretical basis for subsequent in - depth studies on the mechanism of Fructus polygoni orientalis against liver cirrhosis.