摘　要：肝血管瘤是常见的良性肿瘤之一，临床上常采用柴胡疏肝散进行治疗，但其具体的作用机制仍是未知的。本研究利用网络药理学和分子对接方法，通过成分-靶点网络图分析得出关键靶点和成分信息，对关键靶点和成分进行分子对接，获得相应分子对接图谱，并探讨其作用机制。结果显示，共获得柴胡疏肝散活性成分142个，相对应靶点269个，肝血管瘤疾病靶点351个，两者共同交集靶点61个。基因本体（GO）功能富集有184条生物学过程，主要涉及转录因子活性、DNA结合及转录的正向调控。京都基因和基因组百科全书（KEGG）通路富集分析筛选得到138条信号通路，主要涉及PI3K-Akt、乙型肝炎、MAPK、AGE-RAGE等信号通路。分子对接结果显示，AKT1蛋白与活性成分β-谷甾醇结合稳定，VEGFA蛋白与活性成分槲皮素和异鼠李素均结合稳定，ESR1和MAPK3分别与β-谷甾醇和柚皮素结合稳定。柴胡疏肝散可能是通过槲皮素、异鼠李素、β-谷甾醇、山柰酚和柚皮素等活性成分作用于STAT3、AKT1、VEGFA、ESR1、MAPK3等靶点的，通过诱导血管新生、保护血管和肝细胞的活化等发挥治疗肝血管瘤的作用，这为临床上应用柴胡疏肝散治疗肝血管瘤提供了理论研究依据。
关键词：柴胡疏肝散；肝血管瘤；网络药理学；分子对接；信号通路
中图分类号：R285; R289. 5                      文献标志码：A                 DOI：10.3969/j.issn.1007-7146.2023.02.011

Abstract: Hepatic hemangioma is one of the common benign tumors, which is treated with Chaihu Shugan Powder in clinical, but its specific mechanism of action is still unknown. In this study, network pharmacology and molecular docking methods were used to obtain the information of key targets and components through the analysis of the compositional target network diagram, and molecular docking of key targets and components was carried out to obtain the corresponding molecular docking map and explore the mechanism of action. A total of 142 ingredients of Chaihu Shugan Powder were obtained, and 61 targets were intersections with hepatic hemangioma. There were 184 biological processes for gene ontology (GO) functional enrichment, which mainly involving transcription factor activity, DNA binding, and positive regulation of transcription. 138 signaling pathways were identified by Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis, which mainly involve PI3K-Akt signaling pathway, Hepatitis B signaling pathway, MAPK signaling pathway, and AGE-RAGE signaling pathway, etc. Molecular docking showed that AKT1 protein was stable with β-sitosterol, VEGFA protein was stable with quercetin and isorhamnetin, ESR1 and MAPK3 were stable with β-sitosterol and naringin, respectively. The mechanism of Chaihu Shugan Powder in the treatment of hepatic hemangioma may be related to inducing angiogenesis and protecting the activation of blood vessels and liver cells, in which active ingredients such as quercetin, isorhamnetin, β-sitosterol, kaempferol and naringin, through act on targets such as STAT3, AKT1, VEGFA, ESR1 and MAPK3, which has provided theoretical reference for clinical aplication.
Key words: Chaihu Shugan Powder; hepatic hemangioma; network pharmacology; molecular docking; signal pathway
（Acta Laser Biology Sinica, 2023, 32(2): 184-192）