目的 采用网络药理学和分子对接探究荜铃胃痛颗粒治疗功能性消化不良的作用靶点及分子机制。方法 通过TCMSP、SymMap、SwissTargetPrediction、PharmMapper、UniProt、GeneCards数据库收集荜铃胃痛颗粒、功能性消化不良的有效成分、靶点和疾病相关基因。采用Cytoscape 3.9.1软件构建“中药–成分–交集靶点”网络图，并对其网络中的核心化合物和靶点进行了筛选。利用DAVID数据库对交集靶点进行了基因本体（GO）富集分析和京都基因与基因组的百科全书（KEGG）通路分析，并通过分子对接验证了关键靶点。结果 共获得荜铃胃痛颗粒的有效化学成分131种，通过287个靶点对功能性消化不良疾病产生治疗作用，其中非受体酪氨酸激酶（SRC）、β-连环蛋白（CTNNB1）、热休克蛋白90α型1（HSP90AA1）、蛋白激酶B1（Akt1）、信号转导与转录激活子3（STAT3）为核心靶点。分子对接结果表明，这5个核心靶点与荜铃胃痛颗粒中的槲皮素、黄柏酮、黄藤素、β-谷甾醇等结合情况良好。结论 荜铃胃痛颗粒可能通过抑制磷脂酰肌醇-3-激酶（PI3K）/Akt信号通路、丝裂原活化蛋白激酶（MAPK）信号通路的激活，加强胃肠道蠕动，浸润胃黏膜等，从而达到治疗功能性消化不良的作用，为后续研究提供参考依据。

Objective To explore the mechanism of Biling Weitong Granules treating functional dyspepsia based on network pharmacology and molecular docking. Methods Effective components, targets and disease-related genes of Biling Weitong Granules and functional dyspepsia were collected through TCMSP, SymMap, SwissTargetPrediction, PharmMapper, UniProt and GeneCards databases. The “traditional Chinese medicine - component - intersection target” network diagram was constructed by Cytoscape 3.9.1 software, and the core compounds and targets in the network were screened. DAVID database was used for GO enrichment analysis and KEGG pathway analysis of intersection targets, and the key targets were verified by molecular docking. Results A total of 131 effective chemical components of Biling Weitong Granules were obtained, and 287 targets were used to treat functional dyspepsia. The core targets were SRC, CTNNB1, HSP90AA1, Akt1, STAT3. The molecular docking results showed that the five core targets were well combined with quercetin, obacunone, palmatine, and β-sitosterol in Biling Weitong Granules. Conclusion Biling Weitong Granules can inhibit the activation of the PI3K/Akt and MAPK signaling pathway, enhance gastrointestinal peristalsis, and infiltrate gastric mucosa to achieve the therapeutic effect of functional dyspepsia, providing reference for subsequent studies.

R286.5

黑龙江省卫生健康委科研课题（20220303030646）