目的 采用網絡藥理學和分子對接方法探究膚疾洗劑治療皮膚瘙癢癥的活性成分、關鍵作用靶點及潛在的分子機制。方法 運用TCMSP、Swiss Target Prediction、GeneCards數據庫及文獻報道對膚疾洗劑中活性成分、作用靶點及疾病靶點進行檢索，Cytoscape軟件進行成分–靶點網絡圖構建，通過DAVID數據庫，進行基因本體（GO）功能分析與基因組百科全書（KEGG）通路富集分析，最后通過分子對接預測活性成分與靶點蛋白的結合能力。結果 獲得膚疾洗劑61種有效成分和1 049個作用靶點，瘙癢癥疾病靶點1 621個，其中膚疾洗劑146條信號通路，主要富集在癌癥通路、磷脂酰肌醇-3-激酶（PI3K）/蛋白激酶B（Akt）等。分子對接結果顯示核心成分與關鍵靶點具有較好的結合活性。結論 膚疾洗劑具有抑制炎癥、免疫調控作用，其發(fā)揮作用的主要活性成分為生物堿類、檸檬苦素類和黃酮類等，涉及的主要靶點有蛋白激酶1（Akt1）、CXC趨化因子配體8（CXCL8）、黏著連接蛋白β1（CTNNB1）、表皮生長因子受體（EGFR）、腫瘤壞死因子（TNF）等，符合中藥復方多成分、多靶點、多途徑的特點，為后續(xù)研究提供參考。

Objective To explore the active ingredients, key targets and potential molecular mechanisms of Fuji Lotion in treatment of skin pruritus by network pharmacology and molecular docking methods. Methods TCMSP, Swiss Target Prediction, and GeneCards databases and literature reports were used to search and summarize the active ingredients, action targets and disease targets of the drugs in the skin disease lotion. Cytoscpe software was used to construct the component and target network map. The main core targets were used to GO function analysis and KEGG pathway enrichment analysis through the DAVID database. Finally, molecular docking was used to predict the binding ability of active components to target proteins. Results 61 Kinds of active ingredient and 1 049 action targets of Fuji Lotion were obtained, and 1 621 targets of pruritus disease were obtained. Among them, 146 signal pathways of Fuji lotion were mainly concentrated in cancer pathway, PI3K-AKT, etc. The results of molecular docking showed that the core components had good binding activity to key targets. Conclusion Fuji Lotion has anti-inflammatory and immunomodulatory effects. Its main active ingredients are alkaloids, limonin and flavonoids, and the main targets involved are Akt1, CXCL8, CTNNB1, EGFR, TNF, etc. It follows the characteristics of multi-component, multi target, and multi pathway of traditional Chinese medicine, providing reference for subsequent research.

R285

陜西省中醫(yī)藥管理局中醫(yī)藥全省性?？顚ｍ棧?021-QYZL-02）