Lu Wenjie, Xu Youzhi, Zhao Yinglan, Cen Xiaobo
National Chengdu Center for Safety Evaluation of Drugs, State Key Lab of Biotherapy, West China Hospital of Sichuan University, #1 Keyuan Road 4, Gaopeng Street, High Technological Development Zone, Chengdu 610041, China.
Curr Drug Metab. 2014;15(9):865-74. doi: 10.2174/1389200216666141230105649.
Drug metabolite identification and metabolic characteristics analysis play a crucial role in new drug research and development, because they can lead to varied efficacy, severe adverse reactions, and even toxicity. Classical methodologies for metabolite identification have mainly been based on mass spectrometry (MS) coupled with gas chromatography (GC) or liquid chromatography (LC), and some other techniques are used as complementary approaches, such as nuclear magnetic resonance (NMR). Over the past decade, more and more newly emerging techniques or technologies have been applied to metabolite identification, and are making the procedure easier and more robust, such as LC-NMR-MS, ion mobility MS, ambient ionization techniques, and imaging MS. A novel application of drug metabolite identification based on "omics" known as pharmacometabonomics is discussed, which is an interdisciplinary field that combines pre-dose metabolite profiling and chemometrics methods for data analysis and modeling, aiming to predict the responses of individuals to drugs.
药物代谢物鉴定和代谢特征分析在新药研发中起着至关重要的作用，因为它们可能导致疗效差异、严重不良反应甚至毒性。传统的代谢物鉴定方法主要基于质谱（MS）与气相色谱（GC）或液相色谱（LC）联用，其他一些技术则用作补充方法，如核磁共振（NMR）。在过去十年中，越来越多的新兴技术已应用于代谢物鉴定，使该过程变得更加简便和可靠，如液相色谱-核磁共振-质谱联用（LC-NMR-MS）、离子淌度质谱、常压电离技术和成像质谱。本文讨论了基于“组学”的药物代谢物鉴定的一种新应用，即药物代谢组学，它是一个跨学科领域，结合给药前代谢物谱分析和化学计量学方法进行数据分析和建模，旨在预测个体对药物的反应。
