目的 利用网络药理学和分子对接技术研究黄连汤治疗胰腺癌药效成分的可能靶点，为其临床应用及科研提供理论依据。方法 根据类药性及口服生物利用度，通过中药系统药理学数据库分析平台、GeneCards和OMIM数据库，筛选黄连汤治疗胰腺癌的有效活性成分预测作用靶标；采用Cytoscape 3.8.0绘制出黄连汤活性成分-胰腺癌作用靶标网络；应用STRING数据库制作靶标相互作用网络并筛选出网络核心基因；应用 KEGG 和 GO 富集分析药物与胰腺癌病变的信号通路；采用AutoDockTools和Vina软件进行分子对接。结果 本研究共筛选出药物相关靶点879个，其中黄连287个，干姜54个，艾叶236个，乌梅302个。筛选到网络核心基因16个，分别为EGFR、MYC、HIF1A、MAPK1、FOS、JUN、MAPK8、TP53、CCND1、CDKN1A、ESR1、RB1、PPARA、RELA、NR3C1、AKT1；GO生物过程包括对脂多糖的反应、对活性氧的反应、对氧化应激的反应、对营养水平的反应、对异源生物刺激的反应等；KEGG通路富集分析主要涉及丙型肝炎、胰腺癌、乙肝、膀胱癌、AGE-RAGE信号通路、前列腺癌等；分子对接发现槲皮素与TP53、CCND1和CDKN1A基因具有较好的结合性；利用CCK8法检测不同浓度黄连汤对Panc-1细胞的毒性作用，验证黄连汤对Panc-1细胞的抑制作用。结论 本研究体现了中药复方黄连汤多成分、多靶点及多途径的作用特点, 为黄连汤治疗胰腺癌作用机制提供新思路和新靶点。

Objective Based on network pharmacology and molecular docking technology, the potential targets and mechanism of Huanglian decoction in the treatment of pancreatic cancer were investigated, so as to provide a theoretical basis for its clinical application and scientific research. Methods According to the medicinal properties and oral bioavailability, the prediction targets of effective active components of Huanglian decoction in the treatment of pancreatic cancer were screened through the pharmacology database analysis platform of traditional Chinese medicine system, GeneCards and OMIM database . The target network graph of active component of Huanglian decoction was drawn by Cytoscape 3.8.0, and the target interaction network was made by STRING database and core genes of the network were screened out. KEGG and GO were used to enrich the signal pathways between drugs and pancreatic cancer. AutoDockTools and Vina were used for molecular docking.Results In this study, 879 drug-related targets were screened, including 287 from coptis, 54 from dried ginger, 236 from mugwort and 302 from ebony. 16 core genes of the network were screened, including TEGFR、MYC、HIF1A、MAPK1、FOS、JUN、MAPK8、TP53、CCND1、CDKN1A、ESR1、RB1、PPARA、RELA、NR3C1、AKT1.The biological processes of GO mainly include the response to lipopolysaccharide, the response to reactive oxygen species, the response to oxidative stress, the response to nutrient levels, the response to heterogeneous biological stimulation, etc. KEGG pathway enrichment analysis mainly involves Hepatitis C, pancreatic cancer, hepatitis B, bladder cancer, AGE-RAGE signaling pathway, prostate cancer, etc. It was found that quercetin has a good combination with TP53, CCND1 and CDKN1A genes through molecular docking.CCK8 method was used to detect the toxic effect of Huanglian Decoction at different concentrations on Panc-1 cells and verified the inhibitory effect of Huanglian Decoction on Panc-1 cells.Conclusion This study reflects the characteristics of multi-components, multi-targets and multi-ways of Huanglian? decoction, and provides new ideas and new targets for the mechanism of Huanglian decoction in the intervention of pancreatic cancer.

内蒙古自然科学基金(2021MS08087); 内蒙古自治区高等学校科学研究项目(NJZY21632); 内蒙古医科大学科技百万基金(YKD2018KJBW011)。