高粱泡叶治疗Ⅱ型糖尿病的分子作用机制的网络药理学研究

Network pharmacologic study on molecular mechanism of Rubus lambertianus leaves in the treatment of type 2 diabetes

目的:通过网络药理学方法研究,预测高粱泡叶治疗Ⅱ型糖尿病的潜在分子作用机制。方法:通过Gene Cards数据库检索Ⅱ型糖尿病相关靶点;建立“高粱泡叶-化学成分-靶点”作用网络,通过Metascape数据库对交集靶点进行GO功能富集分析和KEGG通路富集分析,运用AutoDock及Pymol对度值靠前的靶点与对应活性成分进行分子对接验证。结果:筛选出高粱泡叶12个成分和169个预测靶点,2026个疾病靶点;通过Venny2.1在线分析,得到73个共同靶点。GO富集分析得到蛋白丝氨酸/苏氨酸/酪氨酸激酶活性、成纤维细胞增殖的正调控、胰岛素结合、血管内皮生长因子激活受体活性等多种生物学过程和癌症的途径、PI3K-Akt信号通路、ErbB信号通路等21条信号通路。分子对接结果显示筛选的主要活性成分与其对应靶蛋白均具有较好的结合活性。结论:高粱泡叶通过众多靶点、多途径、多通路治疗Ⅱ糖尿病。该研究为高粱泡叶的后期开发利用奠定了相关理论基础。

We studied the potential molecular mechanism of Rubus lambertianus leaves in the treatment of type 2 diabetes by network pharmacology.Gene Cards database was used to search for relevant targets of type 2 diabetes.The action network of Rubus lambertianus leaves-chemical components-targets was established,and the intersection targets were enriched by GO function and KEGG pathway through Metascape database.12 components and 169 predicted targets of Rubus lambertianus leaves were screened out,and 2026 targets of type 2 diabetes were identified.Via Venny 2.1 online analysis,73 common targets were obtained.GO enrichment analysis obtained a variety of biological processes(protein serine/threonine/tyrosine kinase activity,positive regulation of fibroblast proliferation,insulin binding,vascular endothelial growth factor activated receptor activity,etc.),and 21 signal pathways(cancer pathway,PI3K-Akt signal pathway,ErbB signal pathway,etc.).The results of molecular docking showed that the main active components screened had good binding activity with their corresponding target proteins.In conclusion,Rubus lambertianus leaves treat type 2 diabetes by multi-target,multi-channel and multi-pathway.This study laid a theoretical foundation for future development and utilization of Rubus lambertianus leaves.