首页|基于网络药理学和分子对接的半枝莲黄酮类成分治疗肝细胞癌的机制研究

基于网络药理学和分子对接的半枝莲黄酮类成分治疗肝细胞癌的机制研究

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目的 网络药理学方法探究半枝莲黄酮类成分治疗肝细胞癌的作用机制及分子对接技术验证。方法 通过TCMSP、SwissTargetPrediction、OMIM、BioGPS等数据库筛选黄酮类成分、肝特异性靶点;构建肝特异性靶点蛋白互作网络、筛选核心模块和基因;进行肝特异性靶点生物通路富集分析;将黄酮类成分和核心蛋白靶点在SwissDock平台进行分子对接。结果 黄酮类成分36个,肝特异性靶点135个,核心基因4个;关键生物通路均与肝细胞癌的增殖抑制相关。黄酮成分与核心靶点有较强的结合活性。结论 半枝莲黄酮类成分抗肿瘤作用可能是通过多成分-多靶点阻滞肝癌细胞的有丝分裂G1/S细胞周期,抑制肝细胞癌增殖。
Mechanism study on the treatment of hepatocellular carcinoma with flavonoids from Scutellaria barbata D.Don based on network pharmacology and molecular docking
[Objective]To explore the mechanism of action and molecular docking technology validation of flavonoids from Scutellaria barbata D.Don in the treatment of hepatocellular carcinoma using network pharmacology methods.[Methods]Flavonoids and liver specific targets were screened through databases such as TCMSP,SwissTargetPrediction,OMIM,and BioGPS.A liver specific target protein interaction network was constructed,and core modules and genes were screened.Enrichment analysis of liver specific target biological pathways was conducted.Molecular docking of flavonoids and core protein targets was performed on the SwissDock platform.[Results]There were 36 flavonoid components,135 liver specific targets,and 4 core genes.Key biological pathways are all associated with the proliferation inhibition of hepatocellular carcinoma.Flavonoids have strong binding activity with core targets.[Conclusion]The anti-tumor effect of flavonoids from Scutellaria barbata D.Don may be achieved by blocking the Gl/S cell cycle of liver cancer cells through multiple components and targets,thereby inhibiting the proliferation of liver cancer cells.

network pharmacologymolecular dockingScutellaria barbata D.Donflavonoidshepatocellular carcinomaproliferation inhibition

刘小妹、窦锦明

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潍坊市中医院制剂科,山东潍坊 261041

网络药理学 分子对接 半枝莲 黄酮 肝细胞癌 增殖抑制

山东省中医药科技项目潍坊市中医药科研项目潍坊市中医药科研项目潍坊市中医药科研项目

2021M0942021-4-0622022-3-0012023-2-003

2024

中国医学工程
中国医药生物技术协会 卫生部肝胆肠外科研究中心

中国医学工程

影响因子:0.504
ISSN:1672-2019
年,卷(期):2024.32(7)