[1]卢玲,胡跃强,廖现秋,等.加味柴胡疏肝汤君臣配伍抗癫痫作用机制的网络药理学和分子对接研究[J].西部中医药,2023,36(02):12-17.[doi:10.12174/j.issn.2096-9600.2023.02.03]
　LU Ling,HU Yueqiang,LIAO Xianqiu,et al.Research on the Mechanism of the Compatibility of Monarch and Ministerial Drug in Modified Chaihu Shugan Tang in the Treatment of Epilepsy Based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2023,36(02):12-17.[doi:10.12174/j.issn.2096-9600.2023.02.03]
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加味柴胡疏肝汤君臣配伍抗癫痫作用机制的网络药理学和分子对接研究

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
36
期数:
2023年02期
页码:
12-17
栏目:
出版日期:
2023-02-15

文章信息/Info

Title:
Research on the Mechanism of the Compatibility of Monarch and Ministerial Drug in Modified Chaihu Shugan Tang in the Treatment of Epilepsy Based on Network Pharmacology and Molecular Docking
作者:
卢玲1, 胡跃强2, 廖现秋1, 李欢1, 蔡伦2, 刁丽梅2
1.广西中医药大学，广西 南宁 530001
2.广西中医药大学第一附属医院，广西 南宁 530000
Author(s):
LU Ling1, HU Yueqiang2, LIAO Xianqiu1, LI Huan1, CAI Lun2, DIAO Limei2
1.Guangxi University of Chinese Medicine, Nanning 530001, China
2.The First Affiliated Hospital of Guangxi University of Chinese Medicine, Nanning 530000, China
关键词:
网络药理学; 分子对接技术; 癫痫; 加味柴胡疏肝汤; 君臣配伍
Keywords:
network pharmacology; molecular docking; epilepsy; modified; the compatibility of monarch and ministerial drug
分类号:
R971+.6
DOI:
10.12174/j.issn.2096-9600.2023.02.03
文献标志码:
A
摘要:
目的通过网络药理学方法探讨加味柴胡疏肝汤中君药和臣药配伍的抗癫痫作用机制，并通过分子对接技术预测药物有效成分与抗癫痫靶标的结合性。 方法从DisGeNET和GeneCards数据库中分别收集癫痫的靶标，取二者交集。在TCMSP数据库中检索加味柴胡疏肝汤中君药和臣药的有效成分及靶标。利用在线软件Venny进行映射得到加味柴胡疏肝汤君臣配伍抗癫痫作用的潜在靶标。通过STRING数据库构建基因功能关联网络。基于clusterProfiler包进行GO富集分析（gene ontology，GO）和KEGG富集分析（kyoto encyclopedia of genes and genomes，KEGG）。同时使用Cytoscape软件构建“成分-靶标-通路”关系网络。最后，通过Autodock Vina实现君臣配伍有效成分与癫痫靶标蛋白的分子对接。 结果加味柴胡疏肝汤君臣配伍的多种有效成分能够作用于癫痫的37个潜在靶标。这些潜在靶标主要影响了69个GO生物学功能。涉及了113条KEGG信号通路。此外，加味柴胡疏肝汤君臣配伍的有效成分均可与癫痫核心靶标自发地结合，且结合性良好。 结论加味柴胡疏肝汤君臣配伍的有效成分与癫痫相关的靶标具有良好的结合性。加味柴胡疏肝汤君臣配伍的有效成分可能是通过多靶标、多途径共同发挥抗癫痫作用的。
Abstract:
ObjectiveTo discuss the mechanism of the compatibility of monarch and ministerial drug in modified Chaihu Shugan Tang in treating epilepsy, and predict the binding of active ingredients to antiepileptic targets through molecular docking technology. MethodsThe targets of epilepsy were collected from DisGeNET and GeneCards databases, and their intersection was used as targets related to epilepsy. The active ingredients and the targets of monarch and ministerial drug in modified Chaihu Shugan Tang were searched from TCMSP. Online software Venny was used for mapping to obtain the potential targets of antiepileptic effects of the compatibility of monarch and ministerial drug in modified Chaihu Shugan Tang. STRING database was used to construct gene function association network, clusterProfiler pack was used to perform GO and KEGG. Meanwhile, Cytoscape software was used to build the relation network of "ingredient-targets-pathway". Consequently, Autodock Vina was used to realize molecular docking between the active ingredients of the compatibility of monarch and ministerial drug and target proteins of epilepsy. ResultsMultiple active ingredients of the compatibility of monarch and ministerial drug in modified Chaihu Shugan Tang could act on 37 potential targets of epilepsy. These potential targets mainly affect 69 GO biological function, and involve 113 KEGG signaling pathway. Besides, the active ingredients of the compatibility of monarch and ministerial drug in modified Chaihu Shugan Tang could combine with core targets of epilepsy spontaneously, presenting good combination. ConclusionActive ingredients of the compatibility of monarch and ministerial drug in modified Chaihu Shugan Tang have good combination with the epilepsy-related targets, which could possibly develop antiepileptic effects through many targets and pathways.

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备注/Memo

备注/Memo:
卢玲（1993—），女，硕士学位。研究方向：神经内科疾病的临床与基础研究。国家自然科学基金（81760809，81960858）；广西区科技厅面上项目（2017GXNSFAA198294）；广西中医药大学岐黄工程高层次人才团队培育项目（2018003）；广西卫生适宜技术研究与开发项目（s2017049）；广西中医药大学2019年研究生教育创新计划项目（YCSY20190062）。
更新日期/Last Update: 2023-02-15