摘要
目的应用网络药理学的方法探索半夏厚朴汤治疗抑郁症的活性成分、作用靶点及相关通路,建立“中药-活性成分-靶点蛋白-通路”网络,探讨半夏厚朴汤治疗抑郁症的作用机制。方法通过数据库和文献查找半夏厚朴汤所含活性成分,利用口服生物利用度、类药性和肠上皮细胞通透性及补偿机制对成分进行筛选。通过数据库查找抑郁症作用靶点,与半夏厚朴汤活性成分反向药效团匹配获得到的靶点比较,选取半夏厚朴汤治疗抑郁症的潜在作用靶点。在数据库上传所得的靶点蛋白,获得蛋白相互作用网络与靶点蛋白-通路网络。将靶点蛋白和活性成分进行分子对接,并构建中药-活性成分-靶点蛋白网络。结果从半夏厚朴汤中共筛选出66个化合物,得到半夏厚朴汤潜在治疗抑郁症靶点54个。通过网络分析,得到半夏厚朴汤治疗抑郁症的17个潜在的活性成分、7个关键靶点以及6条通路。结论本研究初步探究了半夏厚朴汤治疗抑郁症的活性成分、作用靶点及相关通路,为后续研究半夏厚朴汤治疗抑郁症提供了研究基础。
Objectives:To explore the network of active ingredients,targets and related pathways of Banxia Houpu Decoction in the treatment of depression with the method of network pharmacology,to establish a network of“Chinese Medicine-active ingredients-target protein-pathway”and to explore Banxia Houpo Decoction Mechanism of action for treating depression.Methods:Search the active ingredients contained in Banxia Houpu Decoction through the database and literature,and use oral bioavailability,drug-like properties,Intestinal epithelial cell permeability and compensation mechanism to screen the ingredients.Find the target of depression through the database,and compare with the target obtained by the reverse pharmacophore matching of the active ingredients of Banxia Houpu Decoction to determine the potential target of Banxia Houpo Decoction g in the treatment of depression.Upload the obtained target protein in the database to obtain the protein interaction network and the target protein-pathway network.The target protein and the active ingredient are molecularly docked,and a Chinese medicine-active ingredient-target protein network is constructed.Results:A total of 66 active compounds were screened from Banxia Houpu Decoction,and 54 potential targets of Banxia Houpo Decoction for the treatment of depression were obtained.Through network analysis,17 potential active ingredients,7 key targets,and 6 pathways for Banxia Houpu Decoction in the treatment of depression were obtained.Conclusion:This study initially explored the active ingredients,targets,and related pathways of Banxia Houpu Decoction in the treatment of depression,and provided a research basis for the follow-up study of Banxia Houpo Decoction in the treatment of depression.
作者
郝鹏飞
刘登峰
张超云
卞华
黄显章
HAO Peng-fei;LIU Deng-feng;ZHANG Chao-yun;BIAN Hua;HUANG Xian-zhang(Zhang Zhongjing College of Chinese Medicine,Nanyang Institute of Technology,Nanyang 473004,China;Henan Key Laboratory of Zhang Zhongjing Formulae and Herbs for Immunoregulation,Nanyang Institute of Technology,Nanyang 473004,China)
出处
《南阳理工学院学报》
2020年第6期104-111,共8页
Journal of Nanyang Institute of Technology
关键词
网络药理学
半夏厚朴汤
抑郁症
作用机制
network pharmacology
Banxia Houpu Decoction
depression
mechanism of action
