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基于网络药理学和实验验证预测骨碎补治疗股骨头坏死的靶点

Prediction of Rhizoma Drynariae Targets in the Treatment of Osteonecrosis of the Femoral Head based on Network Pharmacology and Experimental Verification.

作者信息

Zhang Yong, Weng Qiuyan, Hu Tongzhou, Shen Xiaohan, Han Jinming

机构信息

Department of Trauma Orthopedics, Ningbo No 6 Hospital, Ningbo, 315000, People's Republic of China.

Tongji University School of Medicine, Shanghai, 20065, People's Republic of China.

出版信息

Curr Comput Aided Drug Des. 2023;19(1):13-23. doi: 10.2174/1573409918666221006122426.

DOI:10.2174/1573409918666221006122426
PMID:36201277
Abstract

BACKGROUND

Rhizoma drynariae, a classic prescription in traditional Chinese medicine, has long been used for the treatment of osteonecrosis of the femoral head (ONFH), but its potential targets and molecular mechanisms remain to be further explored.

OBJECTIVE

This study aims to explore the mechanism of Rhizoma drynariae in ONFH treatment via network pharmacology and in vitro experiments.

METHODS

Targets of Rhizoma drynariae and ONFH were predicted using relevant databases, and intersection analysis was conducted to screen for shared targets. A PPI network of the shared targets was built using STRING to identify the key targets. Functional enrichment analyses of Gene Ontology and KEGG pathway data were carried out using R software. The compound-target-pathway network was constructed for Rhizoma Drynariae in the treatment with ONFH using Cytoscape 3.9.0. Cell proliferation was assessed using CCK8 and apoptosis was detected using (Propidium Iodide) PI staining and western blotting.

RESULTS

This study depicts the interrelationship of the bioactive compounds of Rhizoma drynariae with ONFH-associated signaling pathways and target receptors and is a potential reagent for ONFH treatment.

CONCLUSION

Based on a network pharmacology analysis and in vitro experiment, we predicted and validated the active compounds and potential targets of Rhizoma drynariae, provide valuable evidence of Rhizoma Drynariae in future ONFH treatment.

摘要

背景

骨碎补是中医经典方剂,长期用于治疗股骨头坏死(ONFH),但其潜在靶点和分子机制仍有待进一步探索。

目的

本研究旨在通过网络药理学和体外实验探讨骨碎补治疗ONFH的机制。

方法

利用相关数据库预测骨碎补和ONFH的靶点,并进行交集分析以筛选共同靶点。使用STRING构建共同靶点的蛋白质-蛋白质相互作用(PPI)网络以识别关键靶点。使用R软件对基因本体论(Gene Ontology)和京都基因与基因组百科全书(KEGG)通路数据进行功能富集分析。使用Cytoscape 3.9.0构建骨碎补治疗ONFH的化合物-靶点-通路网络。使用CCK8评估细胞增殖,并使用碘化丙啶(PI)染色和蛋白质免疫印迹法检测细胞凋亡。

结果

本研究描绘了骨碎补生物活性化合物与ONFH相关信号通路和靶受体之间的相互关系,是一种潜在的ONFH治疗试剂。

结论

基于网络药理学分析和体外实验,我们预测并验证了骨碎补的活性化合物和潜在靶点,为骨碎补在未来ONFH治疗中提供了有价值的证据。

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