目的 采用網絡藥理學和分子對接探究蓽鈴胃痛顆粒治療功能性消化不良的作用靶點及分子機制。方法 通過TCMSP、SymMap、SwissTargetPrediction、PharmMapper、UniProt、GeneCards數據庫收集蓽鈴胃痛顆粒、功能性消化不良的有效成分、靶點和疾病相關基因。采用Cytoscape 3.9.1軟件構建“中藥–成分–交集靶點”網絡圖，并對其網絡中的核心化合物和靶點進行了篩選。利用DAVID數據庫對交集靶點進行了基因本體（GO）富集分析和京都基因與基因組的百科全書（KEGG）通路分析，并通過分子對接驗證了關鍵靶點。結果 共獲得蓽鈴胃痛顆粒的有效化學成分131種，通過287個靶點對功能性消化不良疾病產生治療作用，其中非受體酪氨酸激酶（SRC）、β-連環(huán)蛋白（CTNNB1）、熱休克蛋白90α型1（HSP90AA1）、蛋白激酶B1（Akt1）、信號轉導與轉錄激活子3（STAT3）為核心靶點。分子對接結果表明，這5個核心靶點與蓽鈴胃痛顆粒中的槲皮素、黃柏酮、黃藤素、β-谷甾醇等結合情況良好。結論 蓽鈴胃痛顆粒可能通過抑制磷脂酰肌醇-3-激酶（PI3K）/Akt信號通路、絲裂原活化蛋白激酶（MAPK）信號通路的激活，加強胃腸道蠕動，浸潤胃黏膜等，從而達到治療功能性消化不良的作用，為后續(xù)研究提供參考依據。

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

黑龍江省衛(wèi)生健康委科研課題（20220303030646）