制药代谢物数据库,PharmMet DB:人类肝脏S9部分产生的药物代谢物的参考数据库
Jennifer Jeon1, Zachery R Jarrell2, Choon-Myung Lee2
1Division of Pulmonary, Allergy and Critical Care Medicine, Emory University, Atlanta, Georgia; Graduate Division of Biological and Biomedical Sciences, Molecular and Systems Pharmacology, Emory University, Atlanta, Georgia.
Drug metabolism and disposition: the biological fate of chemicals
|November 4, 2025
概括
一个新的制药代谢物数据库 (PharmMet DB) 使用人肝 S9 分数来识别药物代谢物被创建. 这种资源有助于精密治疗,使治疗药物暴露的检测和推进药物代谢学研究.
科学领域:
- 药理学 药理学是指药理学的学科.
- 代谢学 代谢学 代谢学
- 生物化学 生化学
背景情况:
- 治疗药物监测对于精准医学至关重要,但依赖于有限的文献数据或in silico预测.
- 现有的数据库缺乏关于药物代谢物的全面实验数据,这阻碍了准确的治疗监测.
研究的目的:
- 创建一个关于人类药物代谢物的全面实验数据库.
- 为了能够在生物样本中精确检测治疗药物暴露.
- 推进药物代谢学和药物基因组学研究.
主要方法:
- 化1114种治疗药物与人类肝脏的S9分离物以产生代谢物.
- 使用液体染色学-高分辨率质谱学分析代谢物.
- 根据BioTransformer 3.0.0预测数据对代谢物进行注释和化.
主要成果:
- 创建了制药代谢物数据库 (PharmMet DB) 的实验代谢物概况.
- 鉴定了30752种第一阶段 (氧化) 和6311种第二阶段 (化) 药物代谢物.
- 发现89%的药物产生了不可预测的代谢物,特别是在抗炎药,中枢神经系统和抗菌类药物中.
结论:
- PharmMet DB提供实验数据,用于检测没有处方史的药物暴露.
- 该资源增强了非向代谢学在临床应用中的实用性.
- 在精准医学中,PharmMet DB对于改善对药物疗效,不良反应和相互作用的理解至关重要.
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