基于网络药理学探索地黄治疗败血症的潜在机制。

IF 3.4 3区 医学 Q2 INFECTIOUS DISEASES BMC Infectious Diseases Pub Date : 2024-08-31 DOI:10.1186/s12879-024-09796-x
Hao Wang, Yongchu Laram, Li Hu, Yingchun Hu, Muhu Chen
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引用次数: 0

摘要

本研究利用网络药理学确定了地黄治疗败血症的靶点和机制。研究人员对 23 名败血症患者和 10 名健康人的外周血样本进行了 RNA 序列分析。随后,对 RNA 序列数据进行了差异表达分析。通过 HERB 和 SwissTarget 预测数据库分别鉴定了活性成分及其假定靶标。利用 GO 和 KEGG 通路进行了功能富集分析。此外,还构建了蛋白质-蛋白质相互作用网络,并对关键靶标进行了生存分析。单细胞 RNA 测序提供了细胞定位数据,而分子对接则探讨了与中心靶点的相互作用。结果表明,已确定的靶点在炎症和Th17细胞分化中发挥了重要作用。生存分析将几个靶点与死亡率联系在一起,而分子对接则突出了活性成分与特定靶点之间的潜在相互作用,如rahmionoside a与ADAM17和rahmapicrogenin与CD81。分子动力学模拟证实了这些相互作用的稳定性,表明了地黄在败血症中调节免疫功能的作用。
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Exploring the potential mechanisms of Rehmannia glutinosa in treating sepsis based on network pharmacology.

The present study utilized network pharmacology to identify therapeutic targets and mechanisms of Rehmannia glutinosa in sepsis treatment. RNA-sequencing was conducted on peripheral blood samples collected from 23 sepsis patients and 10 healthy individuals. Subsequently, the RNA sequence data were analyzed for differential expression. Identification of active components and their putative targets was achieved through the HERB and SwissTarget Prediction databases, respectively. Functional enrichment analysis was performed using GO and KEGG pathways. Additionally, protein-protein interaction networks were constructed and survival analysis of key targets was conducted. Single-cell RNA sequencing provided cellular localization data, while molecular docking explored interactions with central targets. Results indicated significant involvement of identified targets in inflammation and Th17 cell differentiation. Survival analysis linked several targets with mortality rates, while molecular docking highlighted potential interactions between active components and specific targets, such as rehmaionoside a with ADAM17 and rehmapicrogenin with CD81. Molecular dynamics simulations confirmed the stability of these interactions, suggesting Rehmannia glutinosa's role in modulating immune functions in sepsis.

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来源期刊
BMC Infectious Diseases
BMC Infectious Diseases 医学-传染病学
CiteScore
6.50
自引率
0.00%
发文量
860
审稿时长
3.3 months
期刊介绍: BMC Infectious Diseases is an open access, peer-reviewed journal that considers articles on all aspects of the prevention, diagnosis and management of infectious and sexually transmitted diseases in humans, as well as related molecular genetics, pathophysiology, and epidemiology.
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