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目的基于中药传统用法的科学解析,以吴茱萸为例,建立中药毒性质量标志物(Q-Marker)的辨识技术。方法以吴茱萸水煎时“久煎”和“汤洗”的传统用法的文献研究为切入点,运用指纹图谱和质谱技术对吴茱萸水煎液的成分进行表征,以正常人肝细胞(L02)的生长抑制率、乳酸脱氢酶(LDH)、丙氨酸转氨酶(ALT)、天冬氨酸转氨酶(AST)等指标对吴茱萸水煎液的体外肝毒性进行评价,采用灰色关联分析法进行“谱-毒”相关分析。结果吴茱萸水煎液的肝毒性随着煎煮时间的延长,存在先升高后降低的变化趋势,通过“谱-毒”关联分析发现,大极性成分可能是吴茱萸水煎液中的肝毒性Q-Marker,通过液质联用解析为咖啡酰葡萄糖酸异构体,揭示了吴茱萸“久煎”和“汤洗”的科学内涵,建立了基于吴茱萸传统用法的肝毒性Q-Marker辨识技术。结论中药传统用法的科学解析作为中药毒性Q-Marker辨识的切入点具有可行性。
Objective Based on the scientific analysis of the traditional usage of traditional Chinese medicine (TCM) and Evodia rutaecarpa (Fructus Evodiae) as an example, the identification technology of Q-Marker was established. Methods Based on the literature review of traditional usage of Evodia rutaecarpa decoction, the components of Evodia decoction were characterized by fingerprinting and mass spectrometry. The normal human hepatocytes (L02) growth inhibition rate, lactate dehydrogenase (LDH), alanine aminotransferase (ALT), aspartate aminotransferase (AST) and other indicators of Evodia decoction in vitro hepatotoxicity were evaluated using gray correlation analysis Law “spectrum - poison” related analysis. Results The hepatotoxicity of Evodia decoction increased firstly and then decreased with the prolongation of decoction time. According to the analysis of “spectrum - toxicity ”, it was found that the greater polar component may be the component of Evodia rutaecarpa decoction Hepatotoxicity Q-Marker, which was resolved to caffeoyl gluconate isoforms by LC-MS, revealed the scientific connotation of Evodia “Long Jian” and “Tang Xi” and established the hepatotoxicity based on the traditional usage of Evodia rutaecarpa Q-Marker identification technology. Conclusion The scientific analysis of the traditional usage of traditional Chinese medicine is feasible as a starting point for the identification of toxic Q-Marker in traditional Chinese medicine.