摘要
目的发现四物汤的新药理作用并辨识其有效成分群。方法于GEO和Cmap数据库获取四物汤和1309个小分子药物的基因表达谱,计算差异表达基因及四物汤与1309个小分子药物的基因表达谱间的相似性,相似性较高的小分子药物的药理作用为四物汤的新药理作用。相似性较高的小分子药物的靶点作为四物汤发挥新药理作用的靶标,利用分子对接技术辨识四物汤的有效成分群。结果四物汤具有抗乳腺癌的作用,其有效成分群为荭草苷、芍药苷和半乳糖醛酸等,并通过文献调研验证了辨识结果的可靠性。结论本研究将为扩大四物汤的临床应用范围及质量控制奠定基础,为乳腺癌的治疗提供新方法。
Objective To discover new pharmacological effects of Siwu Decoction and identify its active ingredient groups.Methods The gene expression profiles of Siwu Decoction and 1309 small molecule drugs were obtained from the database of GEO and Cmap;The differentially expressed genes were calculated;The similarity between the gene expression profiles of Siwu Decoction and 1309 small molecule drugs were calculated;The pharmacological action of small molecule drugs with high similarity was the new pharmacological action of Siwu Decoction;The targets of small molecule drugs with high similarity werethe targets for Siwu Decoction to exert new pharmacological effects.Molecular docking technique was used to identify the effective components of Siwu Decoction.Results Siwu Decoction had effect about anti-breast cancer and its effective components include orientin,paeoniflorin and galacturonic acid,etc.The reliability of the identification results was verified by literature research.Conclusion This study will lay the foundation for expanding the scope of clinical application and quality control of Siwu Decoction and provides a novel method for the treatment of breast cancer.
作者
陈国飞
沈媛
宋琦
张百霞
Chen Guofei;Shen Yuan;Song qi;Zhang Baixia(College of Traditional Chinese Medicine,Hebei University,Baoding 071000,China)
出处
《世界科学技术-中医药现代化》
CSCD
北大核心
2021年第9期3217-3225,共9页
Modernization of Traditional Chinese Medicine and Materia Medica-World Science and Technology
基金
国家自然科学基金委员会青年科学基金项目(81903931):基于系统药理学探讨芪参益气方治疗气虚血瘀型冠心病的有效成分群及作用机制,负责人:张百霞
河北大学医学学科培养项目(2020A14):基于网络药理学和数据挖掘技术筛选治疗冠心病的高靶向性中药,负责人:张百霞
关键词
四物汤
药物重定位
基因表达谱相似性
分子对接
有效成分群
乳腺癌
Siwu Decoction
Drug reposition
Gene expression profiles similarity
Molecular docking technique
Effective components
Breast cancer
