首页|基于铁死亡角度筛选治疗肝纤维化的天然药物成分

基于铁死亡角度筛选治疗肝纤维化的天然药物成分

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目的 借助生物信息学研究方法从铁死亡角度筛选治疗肝纤维化的天然药物活性成分，为治疗慢性肝病开辟新视野。方法 在GEO数据库中检索与肝纤维化相关的数据集，在FerrDb数据库收集与铁死亡相关靶点。将铁死亡与肝纤维化差异表达的交互靶点构建蛋白互作网络，并对关键靶点借助VarElect工具进行表型分析。通过WebGestalt数据库及omicshare平台对共同靶点进行富集分析。利用CTD定位药物小分子，并通过TCMSP找到天然药物小分子所来源的天然药物及其所对应靶点后进行分子对接分析。结果 筛选到GSE171294数据集，差异分析后获取328个靶点，同时得到256个铁死亡靶点。进行交互处理后得到11个共同靶点，功能富集分析发现共同靶点与代谢过程、细胞增殖以及与谷氨酰胺代谢路径、mTOR信号通路等有关。CTD显示双酚A、槲皮素、白藜芦醇等15个天然活性成分与11个靶点具有对应关系，并且形成了较好的分子对接。结论 通过生物大数据得到的来源于中药的15个天然活性成分具有调控铁死亡和肝纤维化的作用，本研究为肝纤维化药物的研发提供了思路，也为天然活性成分的研究提供科学参考。
Screening of Natural Drug Components for the Treatment of Liver Fibrosis Based on Ferroptosis Perspective
OBJECTIVE To screen the active components of natural drugs that can effectively treat liver fibrosis based on the perspective of ferroptosis by utilizing bioinformatics research methods,for providing the novel therapeutic strategies in managing chronic liver diseases.METHODS Liver fibrosis-related datasets were retrieved from the GEO database,while ferroptosis-related targets were obtained from the FerrDb database.The differentially expressed interacting targets between ferroptosis and liver fibrosis were used to construct a protein interaction network,and the key targets were subjected to phenotypic analysis using the VarElect tool.The common targets were subjected to enrichment analysis using the WebGestalt database and omicshare platform.We utilized the CTD to identify small molecules of drugs,while the TCMSP was employed to discover the natural sources of these drug small molecules and their respective targets for molecular docking analysis.RESULTS The GSE171294 dataset was screened and 328 targets were obtained after differential analysis,while 256 ferroptosis targets were obtained.After cross-processing,11 common targets were obtained.And functional enrichment analysis revealed that the common targets were related to metabolic processes,cell proliferation,and with glutamine metabolic pathway and mTOR signaling pathway,etc.The CTD showed that 15 natural active ingredients such as bisphenol A,quercetin and resveratrol corresponded to the 11 targets,and formed a good molecular docking.CONCLUSION This study investigates 15 natural active ingredients derived from traditional Chinese medicine,obtained through biological big data analysis.These ingredients have shown potential in regulating ferroptosis and liver fibrosis.The findings of this study contribute to the development of liver fibrosis drugs and provide a scientific reference for further research on natural active ingredients.

hepatic fibrosisferroptosisnatural drugsbioinformatics

徐达、陈琪、杨立新、王佳慧、汪磊、赵铁建、郑洋

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广西中医药大学赛恩斯新医药学院,广西南宁 530222

肝纤维化 铁死亡 天然药物 生物信息

国家自然科学基金国家自然科学基金广西自然科学基金广西中医药大学青年基金广西中医药大学青年基金广西中医药大学赛恩斯新医药学院科研项目广西中医药大学赛恩斯新医药学院科研项目广西中医药大学赛恩斯新医药学院科研项目广西中医药大学赛恩斯新医药学院国家级大学生创新创业训练计划

82204755819607512023GXNSFBA0262742022MS0242022QN0082022CX0012022MS0022023MS008202313643010

2024

10.12048/j.issn.1674-229X.2024.04.003

今日药学
广东省药学会 中国药学会

今日药学

影响因子：0.413
ISSN：1674-229X
年,卷(期)：2024.34(4)
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