基于计算毒理学的中药肝毒性成分筛查
Screening Hepatotoxic Compounds from Chinese Medicinal Materials using Computational Toxicology Approach
目的：应用计算毒理学模型对常用中药材成分的肝毒性进行初步筛查。方法：收集总结了42味常用中药材所含的983个成分，应用课题组前期基于定量构效关系构建的化合物肝毒性预测模型对其进行预测。结果：预测结果提示370个成分有潜在肝毒性。这些成分涉及37味药材。结论：本研究为大规模筛查中药中肝毒性成分提供了技术支持。
Objective: To screen hepatotoxic compounds from Chinese medicinal materials using computational toxicology approach. Methods: Firstly, 983 compounds from 42 Chinese medicinal materials were collected from TCM-PTD database (the potential target database of Traditional Chinese Medicine). Then the quantitative structure-hepatotoxicity relationship model was employed for predicting the potential hepatotoxicity of these compounds. Results: The results indicated that 370 compounds involving 37 Chinese medicinal materials have potential hepatotoxicity. Conclusions: The study provides technical support for large-scale screening hepatotoxic compounds from TCMs.
陈潜、范骁辉、邢莉
医药卫生理论医学研究方法中医学
中药学计算毒理学肝毒性
Mcomputational toxicologyhepatotoxicity
陈潜,范骁辉,邢莉.基于计算毒理学的中药肝毒性成分筛查[EB/OL].(2013-01-02)[2025-08-02].http://www.paper.edu.cn/releasepaper/content/201301-30.点此复制
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