复明片治疗青光眼的活性成分及可能作用靶点的网络药理学研究

Network pharmacological study on the active ingredients and possible targets of Fuming Tablet in the treatment of glaucoma

目的:探讨复明片的活性成分与青光眼治疗靶点的关系。方法:利用TCMSP数据库检索、筛选复明片的活性成分及靶点,借助STRING数据库和Cytoscape软件绘制复明片活性成分—靶点蛋白相互作用网络;运用AutoDock Vina软件进行分子对接模拟验证试验。结果:筛选获得复明片活性成分183个,复明片活性成分—靶点网络显示碳酸酐酶Ⅰ、碳酸酐酶Ⅱ和碳酸酐酶Ⅳ蛋白节点明显大于其他蛋白节点。复明片中活性成分与碳酸酐酶Ⅰ、碳酸酐酶Ⅱ和碳酸酐酶Ⅳ蛋白有较好的结合活性。结论:碳酸酐酶Ⅰ、碳酸酐酶Ⅱ和碳酸酐酶Ⅳ有可能是复明片治疗青光眼的关键靶点。

Objective:To investigate the relationship between the active ingredients of Fuming Tablet and the therapeutic target of glaucoma.Methods:The TCMSP database was used to search and screen the active ingredients and targets of fuming tablets,and the interaction network between active ingredients and target proteins was drawn with STRING database and Cytoscape software;the molecular docking simulation test was carried out with AutoDock Vina software.Results:183 active ingredients of Fuming Tablets were screened.The network of active ingredients and targets of Fuming Tablets showed that the protein nodes of carbonic anhydraseⅠ,carbonic anhydraseⅡand carbonic anhydraseⅣwere significantly larger than other protein nodes.The active ingredients in Fuming Tablets have good binding activity with carbonic anhydraseⅠ,carbonic anhydraseⅡand carbonic anhydraseⅣproteins.Conclusion:Carbonic anhydraseⅠ,carbonic anhydraseⅡand carbonic anhydraseⅣmay be the key targets of Fuming Tablets in the treatment of glaucoma.