【摘要】 目的 基于网络药理学及分子对接技术研究破格救心汤(PJD)治疗脓毒症心功能障碍(SIMD)的分子作用机制，为临床用药提供理论指导。方法 采用TCMSP和TCMID数据库获得PJD有效活性成分及作用靶点基因，通过OMIM、GeneCards和DisGeNET数据库收集SIMD疾病基因。采用Cytoscape3.7.2软件构建“中药—成分—靶点”网络关系图，构建蛋白互作网络，并进行关键靶点的KEGG通路和GO功能富集分析。同时，使用Autodock Vina对关键靶点进行分子对接研究。结果 获得37个有效成分和213个相关靶点，其中β-谷甾醇、日当药黄素、人参皂苷Rh2、远华蟾蜍精、山柰酚为关键活性成分。这些成分通过调控IL-6、AKT1、TNF、IL-1β、STAT3、TP53、EGFR、JUN等靶点，干预PI3K-AKT、细胞凋亡、AGE-RAGE、TNF、Th17细胞分化等信号通路。分子对接显示PJD核心化合物与核心靶点具有较高亲和力。结论 PJD通过调节炎症、氧化应激、细胞凋亡和心肌能量代谢等多代谢途径，对SIMD具有治疗作用。更多还原

【Abstract】 Objective To study the molecular mechanism of Poge Jiuxin decoction(PJD) in the treatment of sepsis-induced cardiac dysfunction(SIMD) based on network pharmacology and molecular docking technology, and provide theoretical guidance for clinical medication. Methods The effective active ingredients and target genes of PJD were obtained from TCMSP and TCMID databases.The genes related to SIMD were collected from OMIM, GeneCards and DisGeNET databases. The "Chinese medicine-component-target" network relationship diagram was constructed using Cytoscape3.7.2 software, and the PPI network was constructed. Key targets were analyzed for KEGG pathways and GO function enrichment. At the same time, Autodock Vina was used for molecular docking study of key targets. Results A total of 37 effective components and 213 related targets were obtained, among which β-sitosterol, dingyuhuangshen, ginsenoside Rh2, yuanhuachanjushen and kaempferol were key active components. These components regulate target genes such as IL-6, AKT1, TNF, IL-1β, STAT3, TP53, EGFR, JUN, and intervene in the PI3K-AKT signaling pathway, apoptosis, AGE-RAGE, TNF, Th17 cell differentiation etc. signaling pathway. Molecular docking showed that the core compounds of PJD had high affinity for the core targets. Conclusion PJD regulates multiple metabolic pathways, including inflammation, oxidative stress, apoptosis and cardiac energy metabolism, to exert therapeutic effects on SIMD.更多还原