映黄汤治疗败血症的靶点及免疫机制：网络药理学、分子对接、药代动力学方法的整合

IF 2 4区医学 Q2 MEDICINE, GENERAL & INTERNAL

International Journal of General Medicine Pub Date : 2025-08-27 eCollection Date: 2025-01-01 DOI:10.2147/IJGM.S532274

He Zhang, Lijuan Wu, Fenqiao Chen, Yanjun Liu, Linlin Liu, Jianqiang Mei

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引用次数: 0

摘要

背景：映黄汤是一种治疗败血症的中药方剂。本研究采用网络药理学和分子对接方法，探讨映黄汤抗脓毒症的潜在机制。方法：从公共数据库中获取其有效成分、靶基因和脓毒症相关差异表达基因（DEGs）。获得交叉基因，并进行功能富集分析。其次，利用Cytoscape v3.7.2构建中药-活性成分-基因-疾病和蛋白-蛋白相互作用网络。随后，使用CytoHubba插件鉴定中心基因。通过单样本基因集富集分析（ssGSEA）评估免疫细胞水平。此外，还进行了分子对接。最后对活性成分的药代动力学和毒性进行了预测。结果：共获得7个中心基因（ESR1、PTGS2、CACNB4、KCNMA1、gmp、AHR、PRKCA）和11个有效成分。这些中心基因与败血症中显著失调的免疫细胞（如未成熟的B细胞）显著相关。其中，三个枢纽基因（CACNB4、GMPS和PRKCA）对脓毒症的诊断性能相对稳定（AUC大于0.7）。4种活性成分亚油酸、棕榈酸、山奈酚和阿泽林分别与ESR1、PRKCA和PTGS2具有良好的结合亲和力。这四种活性成分符合利平斯基规则原则，没有肝毒性或致癌性。Real-time qPCR验证了hub基因在脓毒症患者中的表达，且在映黄汤治疗后，hub基因的表达可以逆转。结论：本研究揭示了英黄汤抗脓毒症的多种有效成分和枢纽基因，可能为推进英黄汤治疗脓毒症的研究提供新的思路。由于样本量有限，hub基因的表达应该在更大的队列中进行验证。

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Therapeutic Targets and Immune Mechanisms of Yinghuang Decoction in Sepsis: Integrating Network Pharmacology, Molecular Docking, and Pharmacokinetic Approaches.

Background: Yinghuang Decoction is an herbal formula that is used for the treatment of sepsis. This study used network pharmacology and molecular docking methods to explore the potential mechanism of Yinghuang Decoction against sepsis.

Methods: The active ingredients, target genes, and sepsis-related differentially expressed genes (DEGs) were acquired from the public database. The intersection genes were obtained, and the function enrichment analysis was performed. Next, the herbs-active ingredients-genes-disease and protein-protein interaction networks were constructed using Cytoscape v3.7.2. Subsequently, the hub genes were identified using the CytoHubba plugin. The immune cell levels were evaluated by the single-sample Gene Set Enrichment Analysis (ssGSEA). Furthermore, molecular docking was carried out. Finally, the pharmacokinetics and toxicity of active ingredients were predicted.

Results: A total of 7 hub genes (ESR1, PTGS2, CACNB4, KCNMA1, GMPS, AHR, PRKCA) and 11 active ingredients were obtained. These hub genes were significantly correlated with immune cells that are significantly dysregulated in sepsis, such as immature B cells. Among them, three hub genes (CACNB4, GMPS, and PRKCA) exhibited relatively stable diagnostic performance for sepsis (AUC above 0.7). Four active ingredients, linoleic acid, palmitic acid, kaempferol, and afzelin, had good binding affinities with ESR1, PRKCA, and PTGS2, respectively. The four active ingredients met Lipinski's rule principles and were not hepatotoxic or carcinogenic. Real-time qPCR validated the expression of hub genes in sepsis patients, which could reverse after Yinghuang Decoction treatment.

Conclusion: This study exhibited the multiple active ingredients and hub genes of Yinghuang Decoction against sepsis and might offer new insight for advancing its research in sepsis treatment. Due to limited sample size, the expressions of hub genes should be validated in the larger cohorts.

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来源期刊

International Journal of General Medicine Medicine-General Medicine

自引率

0.00%

发文量

1113

审稿时长

16 weeks

期刊介绍： The International Journal of General Medicine is an international, peer-reviewed, open access journal that focuses on general and internal medicine, pathogenesis, epidemiology, diagnosis, monitoring and treatment protocols. The journal is characterized by the rapid reporting of reviews, original research and clinical studies across all disease areas. A key focus of the journal is the elucidation of disease processes and management protocols resulting in improved outcomes for the patient. Patient perspectives such as satisfaction, quality of life, health literacy and communication and their role in developing new healthcare programs and optimizing clinical outcomes are major areas of interest for the journal. As of 1st April 2019, the International Journal of General Medicine will no longer consider meta-analyses for publication.