Zhang He, Wu Lijuan, Chen Fenqiao, Liu Yanjun, Liu Linlin, Mei Jianqiang
Department of Emergency, Hebei Provincial Hospital of TCM, Shijiazhuang, Hebei Province, People's Republic of China.
Int J Gen Med. 2025 Aug 27;18:4785-4801. doi: 10.2147/IJGM.S532274. eCollection 2025.
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.
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.
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.
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.
银翘汤是一种用于治疗脓毒症的中药方剂。本研究采用网络药理学和分子对接方法，探讨银翘汤治疗脓毒症的潜在机制。
从公共数据库中获取活性成分、靶基因和脓毒症相关差异表达基因（DEGs）。获取交集基因，并进行功能富集分析。接下来，使用Cytoscape v3.7.2构建草药-活性成分-基因-疾病和蛋白质-蛋白质相互作用网络。随后，使用CytoHubba插件识别枢纽基因。通过单样本基因集富集分析（ssGSEA）评估免疫细胞水平。此外，进行分子对接。最后，预测活性成分的药代动力学和毒性。
共获得7个枢纽基因（ESR1、PTGS2、CACNB4、KCNMA1、GMPS、AHR、PRKCA）和11种活性成分。这些枢纽基因与脓毒症中显著失调的免疫细胞（如未成熟B细胞）显著相关。其中，三个枢纽基因（CACNB4、GMPS和PRKCA）对脓毒症表现出相对稳定的诊断性能（AUC高于0.7）。四种活性成分，亚油酸、棕榈酸、山奈酚和杨梅苷，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Lipinski规则原则，无肝毒性或致癌性。实时定量PCR验证了脓毒症患者中枢纽基因的表达，银翘汤治疗后可逆转。
本研究展示了银翘汤治疗脓毒症的多种活性成分和枢纽基因，可能为推进其在脓毒症治疗方面的研究提供新的见解。由于样本量有限，枢纽基因的表达应在更大的队列中进行验证。
