[1]杨艳萍.基于网络药理和分子对接探讨二陈汤治疗慢性支气管炎的作用机制[J].医学信息,2024,37(13):7-12.[doi:10.3969/j.issn.1006-1959.2024.13.002]
 Mechanism of Erchen Decoction in the Treatment of Chronic Bronchitis Based on Network Pharmacology and Molecular Docking.Mechanism of Erchen Decoction in the Treatment of Chronic Bronchitis Based on Network Pharmacology and Molecular Docking[J].Journal of Medical Information,2024,37(13):7-12.[doi:10.3969/j.issn.1006-1959.2024.13.002]
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基于网络药理和分子对接探讨二陈汤治疗慢性支气管炎的作用机制()
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医学信息[ISSN:1006-1959/CN:61-1278/R]

卷:
37卷
期数:
2024年13期
页码:
7-12
栏目:
出版日期:
2024-07-01

文章信息/Info

Title:
Mechanism of Erchen Decoction in the Treatment of Chronic Bronchitis Based on Network Pharmacology and Molecular Docking
文章编号:
1006-1959(2024)13-0007-06
作者:
杨艳萍
(贵州省人民医院药剂科,贵州 贵阳 550002)
Author(s):
Mechanism of Erchen Decoction in the Treatment of Chronic Bronchitis Based on Network Pharmacology and Molecular Docking
(Department of Pharmacy,Guizhou Provincial People’s Hospital,Guiyang 550002,Guizhou,China)
关键词:
二陈汤慢性支气管炎网络药理学分子对接作用机制
Keywords:
Erchen decoctionChronic bronchitisNetwork pharmacologyMolecular dockingMechanism of action
分类号:
R259
DOI:
10.3969/j.issn.1006-1959.2024.13.002
文献标志码:
A
摘要:
目的 基于网络药理学和分子对接技术探讨二陈汤治疗慢性支气管炎(CB)的作用机制。方法 利用TCMSP数据库筛选出二陈汤的有效成分和所对应的靶点,GeneCards数据库获得CB相关靶点,Venn Diagram分析二陈汤和CB的共同靶点。运用Cytoscape_v3.8.0软件构建二陈汤复方调控网络。通过String平台进行蛋白互作网络(PPI)筛选关键靶点,利用Bioinformatics数据库对关键靶点进行生物过程及通路富集分析,并利用分子对接对关键靶点的可靠性进行评价。结果 二陈汤和CB的共同靶点有84个,有效成分有104种。二陈汤中槲皮素、山奈酚和黄芩素等有效成分,通过介导AKT1、IL1B等关键靶点,调节炎症信号通路从而治疗CB。分子对接表明,槲皮素-AKT1结合能为-8.4 kcal/mol,槲皮素-IL1B结合能为-7.4 kcal/mol,均有较好的亲和力。结论 二陈汤可通过有效成分槲皮素、山奈酚和黄芩素等调节AKT1、IL1B等关键靶点及下游炎症信号通路来减少炎症治疗CB。
Abstract:
Objective To explore the mechanism of Erchen decoction in the treatment of CB based on network pharmacology and molecular docking technology.Methods The effective components and corresponding targets of Erchen decoction were screened out by TCMSP database. GeneCards database was used to obtain CB-related targets, and Venn Diagram was used to analyze the common targets of Erchen decoction and CB. Cytoscape_v3.8.0 software was used to construct the regulatory network of Erchen decoction compound. The protein interaction network (PPI) was used to screen the key targets through the String platform. The Bioinformatics database was used to analyze the biological processes and pathway enrichment of the key targets, and the reliability of the key targets was evaluated by molecular docking.Results There were 84 common targets of Erchen decoction and CB, and 104 effective components. The effective components such as quercetin, kaempferol and baicalein in Erchen decoction regulate the inflammatory signaling pathway by mediating key targets such as AKT1 and IL1B to treat CB. Molecular docking showed that quercetin-AKT1 binding energy was-8.4 kcal/mol, and quercetin-IL1 B binding energy was-7.4 kcal/mol, both of which had good affinity.Conclusion Erchen decoction can reduce inflammation and treat CB by regulating key targets such as AKT1 and IL1B, and downstream inflammatory signaling pathways through effective components such as quercetin, kaempferol and baicalein.

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更新日期/Last Update: 1900-01-01