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提出了一种利用PubChem数据库的数据资源,为天然产物寻找可能靶点的方法。以山莨菪碱为例进行了演示,发现了山莨菪碱35个潜在的作用靶标,这些靶标解释了山莨菪碱已知的各种药理活性,并给出了具有指导意义的新信息。该寻靶方法快速、便捷、经济,不需要高性能计算支持,结果相对准确,是一种适合中药化学和植物化学领域的研究人员使用的天然产物生物活性预测和寻靶方法。
A method of using the data resources of PubChem database to find possible targets for natural products was proposed. Taking anisodamine as an example, 35 potential targets of anisodamine were found. These targets explained the various pharmacological activities of anisodamine and provided new information with guiding significance. The method is fast, convenient and economical, does not need high-performance computing support and has relatively accurate results. It is a natural product bioactivity prediction and targeting method suitable for researchers in the fields of Chinese chemical and phytochemistry.