《发现和鉴定体内中药代谢物和其它未知外来性化学物的质谱新技术》--第九届“质谱网络会议”（iCMS 2018）特邀专家报告_3i讲堂

MassDefect Technologies 朱明社

【报告人介绍】

朱明社博士原是美国百时美施贵宝公司的首席科学家并具有二十多年从事新药研发DMPK研究的经验，其团队支持的Abilify（阿立哌唑）和Dapagliflozin (达格列净)成为新药在世界多国上市。同时他与他的合作者发明•和建立了多项用于药物代谢物鉴定的质谱数据处理和采集的新技术，包括质量亏损过滤，精确背景扣除和多离子扫描等。朱博士发表了90多篇的研究论文和综述并共同主编了“Drug Metabolism in Drug Design and Development: Basic Concept and Practice” 和 “Mass Spectrometry in Drug Metabolism and Disposition: Basic Principles and Applications”两本著作。他于 2017年初起从事药物代谢，新药研发和质谱技术的咨询服务，现担任中国药明康德DMPK的科学顾问和厦门大学药学院客座教授。

【报告内容简介】

Traditional Chinese medicines (TCM) contain up to several hundreds of components. It is generally recognized that the effectiveness of TCM is associated with major chemical constituents of TCM, including unknown metabolites, in the human circulation. TCM components highly exposed to human may also contribute to TCM toxicity and inhibitory effects on metabolizing enzymes and transporters, which lead to drug-TCM interactions. Finding and structural characterization of unknown TCM components in biological samples represent great analytical challenges, which greatly limited the speed of developing new TCM in China. Commonly used HRMS-based technologies for analyzing drug metabolites are neither effective nor productive for analyzing unknown TCM components or other xenobiotics. For examples, targeted data-mining approaches such as mass defect filtering cannot find totally unknown xenobiotics. Similarly, a majority of data-dependent acquisition (DDA) and data-independent acquisition (DIA) methods are incapable of recording true MS/MS spectra of low level of unknown xenobiotics, which is required for the task. This presentation reports recent applications of a novel HRMS-based untargeted data-mining technology for the comprehensive detection of unknown CTM components and toxic xenobiotics in human plasma as well as the characterization of metabolic pathways of these TCM components in vivo. In addition, the limitations and advantages of various data-acquisition technologies, especially a newly introduced untargeted DDA method, are compared. Finally, the utility of these HRMS technologies in support of the new TCM development is discussed.

【报名地址】

https://www.instrument.com.cn/webinar/meetings/iCMS2018/

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《发现和鉴定体内中药代谢物和其它未知外来性化学物的质谱新技术》--第九届“质谱网络会议”（iCMS 2018）特邀专家报告

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