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基于网络药理学的变色缬草中抗糖尿病生物活性化合物分析。

Network pharmacology-based analysis on bioactive anti-diabetic compounds in Potentilla discolor bunge.

机构信息

Institute of Life Sciences, Jiangsu University, Zhenjiang, Jiangsu, 212013, China.

Department of Genetics and Genomic Sciences, Icahn School of Medicine at Mount Sinai, New York City, NY, 10029, USA.

出版信息

J Ethnopharmacol. 2019 Sep 15;241:111905. doi: 10.1016/j.jep.2019.111905. Epub 2019 Apr 22.

Abstract

ETHNOPHARMACOLOGICAL RELEVANCE

Potentilla discolor Bunge (PDB) is a commonly used herbal for alleviating diabetes mellitus and its complications. Although accumulating evidences show the anti-diabetic efficacy of PDB, the vital anti-diabetic compounds and their functional targets remain elusive.

AIM OF THE STUDY

To investigate the anti-diabetic ingredients and their functional mechanisms in PDB, gas chromatograph-mass spectrometry analysis was performed on PDB extract and 21 were testified as anti-diabetic compounds.

MATERIALS AND METHODS

Subsequently their potential protein targets were also identified. The bioinformatics analysis was implemented by network pharmacology-based approaches. STRING analysis was performed to reveal enrichment of these target proteins, protein-protein interactions, pathways and related diseases. Cytoscape was used to determine the potential protein targets for these components in PDB, indicating that 21 anti-diabetic compounds in PDB regulate 33 diabetes-related proteins in 28 signal pathways and involve 21 kinds of diabetes-related diseases. Among the 21 potential anti-diabetic components predicted by network analysis, tricetin was firstly experimentally validated at the molecular and cellular level.

RESULTS

Results indicated that this active small-molecule compound may have beneficial effects on improving glucose uptake.

CONCLUSIONS

We envisage that network analysis will be useful in screening bioactive compounds of medicinal plants.

摘要

民族药理学相关性

翻白草(PDB)是一种常用于缓解糖尿病及其并发症的常用草药。尽管越来越多的证据表明 PDB 具有抗糖尿病作用,但重要的抗糖尿病化合物及其功能靶点仍难以捉摸。

研究目的

为了研究 PDB 的抗糖尿病成分及其作用机制,对 PDB 提取物进行了气相色谱-质谱分析,鉴定出 21 种具有抗糖尿病作用的化合物。

材料和方法

随后还鉴定了它们的潜在蛋白靶标。通过基于网络药理学的方法进行了生物信息学分析。STRING 分析揭示了这些靶蛋白、蛋白质-蛋白质相互作用、途径和相关疾病的富集。使用 Cytoscape 确定了 PDB 中这些成分的潜在蛋白靶标,表明 PDB 中的 21 种抗糖尿病化合物在 28 条信号通路中调节 33 种与糖尿病相关的蛋白,并涉及 21 种与糖尿病相关的疾病。在网络分析预测的 21 种潜在抗糖尿病成分中,首次在分子和细胞水平上验证了三羚黄酮的作用。

结果

结果表明,这种活性小分子化合物可能对改善葡萄糖摄取有有益的作用。

结论

我们预计网络分析将有助于筛选药用植物中的生物活性化合物。

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