石菖蒲治疗阿尔茨海默病的物质基础的研究

Material basis of acori tatarinowii rhizoma for Alzheimer's disease

阿尔茨海默病(AD)是神经退行性疾病最常见的一种类型,中药石菖蒲治疗阿尔茨海默病历史悠久,但其发挥治疗作用的物质基础尚不明确。本研究应用TCMSP数据库中搜索石菖蒲的化学成分及其靶点,应用Drug Bank数据库搜索治疗AD的阳性药,应用PDB数据库中查询靶点的三维结构;利用Cytoscape、fingerprint和Autodock软件分别进行网络图的构建、Tanimoto相似度分析和分子对接的研究,初步探索发现,石菖蒲中有79个化合物与AD间存在相关关系;其中中药成分Bisasaricin、Diethylbenzylamine、CAM可能为石菖蒲治疗AD的主要效应物质。

Alzheimer＇s disease （AD） is the most common type of neurodegenerative disease. Traditional Chinese medicine acori tatarinowii rhizoma has a long history of treating AD, but the material basis for its therapeutic effect is unclear. In the present study, we searched the TCMSP database for the chemical constituents and targets of acori tatarinowii rhizoma, and the positive drug for AD treatment by DrugBank database. The 3-dimensional structure of the query target in PDB database was used. Cytoscape was used to build the network map, and fingerprint used for Tanimoto similarity analysis, and Autodock software for molecular docking. We found 79 compounds in acori tatarinowii rhizoma related to AD. Bisasaricin, Diethylbenzylamine and CAM may be the main effective substances in the treatment of AD.