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Updated: Sep 19, 2025

A Strategy for Sensitive, Large Scale Quantitative Metabolomics

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基于代谢学的两种先进的数据处理方法,用于使用高分辨率质谱仪全面识别药物代谢物

Tsung-Chin Ho¹, Yi-Shiou Chiou², Chia-Lung Shih³

¹Department of Obstetrics and Gynecology, Ditmanson Medical Foundation Chia-Yi Christian Hospital, Chiayi 60002, Taiwan.

Journal of pharmaceutical and biomedical analysis

|June 7, 2025

概括

这项研究验证了一种用稳定同位素追踪 (SIT) 来识别药物代谢物的剂量反应技术. 该方法显示出高的一致性,在并存数据集中确定了12/13个潜在的罗西格利塔代谢物.

科学领域:

药理学和毒理学药理学和毒理学
分析化学分析化学
代谢学代谢学代谢学

背景情况:

准确的药物代谢物识别对于药物开发和安全性评估至关重要.
稳定同位素追踪 (SIT) 与剂量反应技术相结合,为代谢物概况提供了一种强大的方法.
需要进一步验证,以确定这些分析方法的稳定性和全面性.

研究的目的:

验证先前开发的剂量反应技术与稳定同位素追踪 (SIT) 结合用于药物代谢物识别.
通过使用不同的化策略和复制数据集来评估方法的一致性和有效性.
为了比较开发的方法的性能与质量缺陷过 (MDF) 与SIT相结合.

主要方法:

使用了与稳定同位素追踪 (SIT) 集成的剂量反应技术.
采用了两种不同的化方法:共同化和药物及其标记模拟物的单独化.
分析了每个化方法的两个复制数据集,以确保可重现性.
应用质量缺陷过 (MDF) 结合SIT作为比较方法.

主要成果:

确定了总共24个潜在的罗西格利塔 (ROS) 代谢离子,并提出了它们的结构.
在代谢物识别方面表现出很高的一致性,在同化数据集中的复制品中,在13个离子中,有12个被一致识别.
与共化 (n=13) 相比,单独的化数据集产生了更多的潜在代谢物 (n=20) 进行查.
当将开发方法与MDF与SIT相结合进行比较时,观察到类似的识别趋势.

结论:

剂量反应技术与SIT相结合,为药物代谢物识别提供了可靠和一致的方法.
与单独的化数据集相比,共化数据集在代谢物识别方面具有更高的可重现性.
开发的方法和MDF与SIT相结合,可以相互补充,提高药物代谢研究分析策略的全面性.

关键词:

剂量-反应关系关系.质量缺陷过器的过方法罗西格利塔 (Rosiglitazone) 是一种有毒的药物.稳定的同位素追踪.

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