中国医院用药评价与分析2024，Vol.24Issue(4)：401-407,7.DOI:10.14009/j.issn.1672-2124.2024.04.004
基于网络药理学和分子对接技术探讨丹灯通脑软胶囊治疗中风的作用机制
Mechanism of Dandeng Tongnao Soft Capsules in the Treatment of Stroke Based on Network Pharmacology and Molecular Docking
摘要
Abstract
OBJECTIVE:To probe into the active components and mechanism of Dandeng Tongnao soft capsules in the treatment of stroke based on network pharmacology and molecular docking.METHODS:Based on Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,Taiwan Traditional Chinese Medicine database of China,BATMAN-TCM database and literature,the targets were predicted by component target prediction database.The network was constructed by combining stroke targets obtained from DrugBank,On-line Mendelian Inheritance in Man,Therapeutic Target Database and DisGeNET database.Protein-protein interaction(PPI)network of the common targets were analyzed by STRING.Key targets were screened for gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis.Autodock Tools 1.5.7 was used for molecular docking to predict the binding activity between core components and key targets.RESULTS:A total of 161 related components of Dandeng Tongnao soft capsules were retrieved,with 856 corresponding targets and 234 apoplexy-related targets,and 86 common targets were obtained from the intersection.The PPI network was constructed and topological analysis was performed to obtain 30 key targets.The enrichment analysis showed 2 712 GO processes and 122 KEGG pathways.Molecular docking results showed that the core components quercetin and luteolin could stably bind to the core targets prostaglandin-endoperoxide synthase 2,serine/threonine protein kinase 1,matrix metalloproteinase(MMP)9,cysteine asparaginase-3,and MMP2.CONCLUSIONS:This study predicts that Dandeng Tongnao soft capsules might treat stroke by regulating inflammatory response and improving advanced glycated end(AGE)products-AGE receptor signaling pathway in diabetes complications,indicating the complex mechanism of Dandeng Tongnao soft capsules in the treatment of stroke by mediating multiple targets through multiple components,laying a foundation for further research.关键词
丹灯通脑软胶囊/中风/网络药理学/分子对接Key words
Dandeng Tongnao soft capsules/Stroke/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
高艺菲,吴嘉瑞,黄佳奇,郭思宇,陶晓宇,金政森,陈美琳,伍超,黄志鸿,赵若琪..基于网络药理学和分子对接技术探讨丹灯通脑软胶囊治疗中风的作用机制[J].中国医院用药评价与分析,2024,24(4):401-407,7.基金项目
国家自然科学基金资助项目(No.82074284) （No.82074284）
国家中医药传承创新团队子项目(No.ZYYCXTD-C-202005-10) （No.ZYYCXTD-C-202005-10）
中国民族医药学会科研立项项目(No.2020MZ298-110101) （No.2020MZ298-110101）
