世界中医药

目的：基于网络药理学和分子对接技术，探讨强力定眩片治疗高血压的作用机制。方法：使用中药系统药理学数据库与分析平台（TCMSP）、中药分子作用机制的网络药理学在线分析工具（BATMAN-TCM）平台检索强力定眩片活性成分，使用Swiss Target Prediction数据库，对活性成分进行靶点预测。通过GeneCards、在线人类孟德尔遗传数据库（OMIM）、治疗靶点数据库（TTD）得到高血压相关靶点，整合药物靶点和疾病靶点，获取交集靶点。使用Cytoscape软件构建药物-活性成分-作用靶点-疾病网络图，筛选核心成分。利用STRING平台构建蛋白质-蛋白质相互作用（PPI）网络，筛选核心蛋白。使用MCODE对PPI网络进行蛋白聚类分析。利用DAVID数据库进行京都基因与基因组百科全书（KEGG）通路富集分析，Hiplot分析平台进行基因本体（GO）富集分析，再使用Autodock Vina和Pymol实现核心成分-核心蛋白的分子对接。结果：检索得到强力定眩片活性成分44个，作用靶点679个，疾病相关靶点2 367个，药物与疾病的交集靶点305个。KEGG分析显示，交集基因主要富集于PI3K-AKT信号通路、Ras信号通路、Rap1信号通路、钙信号通路、cAMP信号通路、HIF-1等信号通路。GO富集分析显示，交集基因主要富集于循环系统调控过程、血管管径调节、MAPK级联正向调节、血压调节等过程。分子对接结果显示，主要核心成分与核心蛋白均有较好的结合活性。结论：强力定眩片可能通过调控肾素-血管紧张素-醛固酮系统、血管平滑肌收缩、氧化应激、钙离子通道等方式，起到降低血压的功效。

English Summary:

To explore the mechanism of Qiangli Dingxuan Tablets in the treatment of hypertension based on network pharmacology and molecular docking.Methods:Active components of Qiangli Dingxuan Tablets were searched by TCMSP and BATMAN-TCM，and the target prediction of the active components was made by Swiss Target Prediction database.Hypertension-related targets were obtained through GeneCards，OMIM and TTD databases，and drug targets and disease targets were integrated to obtain intersection targets.Cytoscape software was used to construct the drug-active ingredient-action target-disease network diagram and screen the core components.STRING platform was used to construct the PPI network and screen the core proteins.MCODE was used to perform protein clustering analysis of PPI network.DAVID database was used to analyze the enrichment of KEGG pathway.GO enrichment analysis was carried out by using Hiplot analysis platform.Autodock Vina and Pymol were used to realize the molecular docking of core component-core protein.Results:A total of 44 active components，679 action targets，2367 disease-related targets and 305 drug-disease intersection targets were retrieved.KEGG analysis showed that the overlapping genes were mainly concentrated in PI3K-AKT signal pathway，Ras signal pathway，Rap1 signal pathway，calcium signal pathway，cAMP signal pathway，HIF-1 and other signal pathways.GO analysis showed that the overlapping genes were mainly concentrated in the regulation of circulatory system，the regulation of vascular diameter，the positive regulation of MAPK cascade，the regulation of blood pressure and so on.The results of molecular docking showed that the main core components and core proteins had good binding activity.Conclusion:Qiangli Dingxuan Tablets may play a role in lowering blood pressure by regulating and controlling renin-angiotensin-aldosterone system，vascular smooth muscle contraction，oxidative stress，calcium channel and other systems.

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