目的 采用超高效液相色谱-质谱联用（UPLC-Q-TOF/MS）技术结合网络药理学及分子对接技术探究毕节 血红天麻镇静催眠的药效物质基础。方法 以天麻素、腺苷和对羟基苯甲醛为考察指标，结合药物提取率，筛 选毕节血红天麻的最佳提取工艺。采用 UPLC-Q-TOF/MS 技术分析毕节血红天麻的化学成分，并通过与文献、 对照品及质谱数据匹配，鉴定毕节血红天麻中的化学成分。运用 SwissTargetPrediction 数据库对鉴定的毕节血 红天麻成分进行靶点预测；采用 GeneCard、OMIM 和 DrugBank 数据库检索与失眠症相关的作用靶点，并取二 者交集获得毕节血红天麻治疗失眠症的潜在作用靶点。构建“药物-活性成分-疾病靶点”网络及蛋白质-蛋白 质互作（PPI）网络，筛选出毕节血红天麻治疗失眠症的核心成分及核心靶点。使用 DAVID 数据库对潜在作用靶 点进行 GO 功能与 KEGG 通路富集分析，利用 Cytoscape 3.7.1 软件构建“药物–活性成分–共同靶点–作用通 路”综合网络，并对核心成分及核心靶点进行分子对接验证。结果 确定毕节血红天麻的最佳提取工艺为水提 取。UPLC-Q-TOF/MS 结果显示，毕节血红天麻成分包含有机酸、多糖、酚类及其苷类等多种化合物，共 确认有 31 个主要活性成分。网络药理学筛选出毕节血红天麻治疗失眠症的主要活性成分有腺苷、天麻素、巴 利森苷 A 等；核心靶点有甘油醛-3-磷酸脱氢酶（GAPDH）、丝氨酸/苏氨酸蛋白激酶 1（AKT1）、白蛋白（ALB）、 肿瘤坏死因子（TNF）、B 细胞淋巴瘤 2（BCL2）等。毕节血红天麻治疗失眠症的机制与神经活性配体-受体相互 作用、环磷酸腺苷（cAMP）信号通路、钙信号通路、血清素能突触等与睡眠调节紧密相关的信号通路有关。分 子对接结果显示，核心活性成分和核心靶点有较好的结合活性。结论 毕节血红天麻中腺苷、天麻素、巴利森 苷 A 等活性成分是其镇静催眠的潜在药效物质基础，其能够作用于 GAPDH、AKT1、ALB、TNF、BCL2 等靶 点，通过调节 cAMP、钙信号通路、血清素能突触等信号通路，发挥治疗失眠症的作用。

Objective To investigate the pharmacodynamic material basis underlying the sedative and hypnotic effects of Bijie Red Gastrodiae Rhizoma using ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry （UPLC-Q-TOF/MS） combined with network pharmacology and molecular docking. Methods With gastrodin，adenosine，and p-hydroxybenzaldehyde as evaluation indices，combined with drug extraction yield，the optimal extraction process for Bijie Red Gastrodiae Rhizoma was screened. The chemical composition of Bijie Red Gastrodiae Rhizoma was analyzed by UPLC-Q-TOF/MS， and the components were identified by matching with literature，reference standards，and mass spectrometry data. The SwissTargetPrediction database was used to predict targets for the identified components of Bijie Red Gastrodiae Rhizoma；targets related to insomnia were retrieved from the GeneCards， OMIM， and DrugBank databases. The intersection of these two sets was taken to obtain potential therapeutic targets of Bijie Red Gastrodiae Rhizoma for insomnia. A "herb-active component-disease target" network and a Protein-Protein Interaction （PPI） network were constructed to screen the core components and core targets of Bijie Red Gastrodiae Rhizoma for treating insomnia. GO functional enrichment analysis and KEGG pathway enrichment analysis were performed on the potential targets using the DAVID database. The Cytoscape 3.7.1 software was used to construct an integrated "herb-active component-common target-pathway" network. Molecular docking was performed to validate the interaction between core components and core targets. Results The optimal extraction process for Bijie Red Gastrodiae Rhizoma was determined to be water extraction. UPLC-Q-TOF/MS analysis showed that the components of Bijie Red Gastrodiae Rhizoma included various compounds such as organic acids，polysaccharides，phenols，and their glycosides. A total of 31 major active components were identified. Network pharmacology screening revealed that the main active components of Bijie Red Gastrodiae Rhizoma for treating insomnia included adenosine，gastrodin，parishin A，etc.；the core targets included glyceraldehyde-3-phosphate dehydrogenase （GAPDH），serine/threonine-protein kinase 1（AKT1），albumin （ALB），tumor mecrosis factor （TNF），and B-cell lymphoma 2 protein （BCL2），among others. The mechanism by which Bijie Red Gastrodiae Rhizoma treats insomnia is related to signaling pathways closely associated with sleep regulation，such as neuroactive ligand-receptor interaction，cAMP signaling pathway，calcium signaling pathway，and serotonergic synapse. Molecular docking results indicated good binding activity between the core active components and the core targets. Conclusion Active components in Bijie Red Gastrodiae Rhizoma， such as adenosine，gastrodin，and parishin A，constitute the potential pharmacodynamic material basis for its sedative and hypnotic effects. These components can act on targets like GAPDH， AKT1， ALB， TNF， and BCL2， and exert therapeutic effects against insomnia by regulating signaling pathways including the cAMP signaling pathway，calcium signaling pathway，and serotonergic synapse.

R284.1

贵州省第八批高层次创新型人才项目（筑科合同-GCC-〔2024〕033）；贵州省中药炮制技术传承基地建设项目（黔中医药函〔2024〕22号）； 2024 年度贵州省企业“科技副职”“科技专员”项目（黔科合人才 KJZY 〔2025〕 060）；贵州省企业技术中心项目（黔工信 〔2024〕 49号）。