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Updated: Sep 15, 2025

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通过基于代谢反应的分子网络揭示药物的代谢命运

Haodong Zhu1,2, Xupeng Tong3, Qi Wang1

  • 1State Key Laboratory of Bioactive Molecules and Druggability Assessment; International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development of Ministry of Education (MOE) of China; Guangdong Basic Research Center of Excellence for Natural Bioactive Molecules and Discovery of Innovative Drugs; Guangdong Province Key Laboratory of Pharmacodynamic Constituents of TCM and New Drugs Research, College of Pharmacy, Jinan University, Guangzhou 510632, China.

Acta pharmaceutica Sinica. B
|July 14, 2025
PubMed
概括

一个新的基于代谢反应的分子网络 (MRMN) 策略简化了药物代谢物的识别. 这种方法通过分析代谢反应和MS2光谱来提高准确性,改善药物发现和开发.

关键词:
药物代谢药物代谢消除内源干扰 消除内源干扰在 LCMS 中使用.人类 MRMNN 的数量.改进MS2特征退化的改善原型和代谢物 一个注释冗余离子的识别识别在线平台 YaoLab 在线平台

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