使用质谱法重新想象药物发现
R Graham Cooks1, Yunfei Feng1, Kai-Hung Huang1
1Department of Chemistry and Bindley Bioscience Center, Purdue University, West Lafayette, IN 47907 USA.
Israel journal of chemistry
|October 13, 2023
概括
质谱学 (MS) 与脱电喷雾电离 (DESI) 结合,可实现连续的药物发现步骤,包括反应选,合成扩展和生物活性测试. 这种自动化,高通量方法整合了合成和分析,以有效地识别候选药物.
科学领域:
- 分析化学 分析化学
- 有机合成 有机合成
- 药物发现 药物发现 药物发现
背景情况:
- 传统的药物发现涉及不同的,往往漫长的反应查,合成扩展和生物活性评估阶段.
- 质谱 (MS) 是一种强大的分析工具,但其整合到药物发现工作流程中的作用是有限的.
研究的目的:
- 为了证明对整个药物发现过程的排离电喷雾电离与质谱学 (DESI-MS) 结合的顺序应用.
- 突出DESI作为合成工具和与自动化兼容的分析技术的能力.
主要方法:
- 使用脱电喷电离 (DESI) 进行小规模合成和反应产品的直接分析.
- 实施药物候选者的自动化,高通量查和分析.
- 利用DESI与复杂的生物解决方案的兼容性进行直接分析.
主要成果:
- DESI-MS成功地将反应选,合成扩展和生物活性评估连续地集成在一起.
- 自动化DESI实现了高通量合成和分析,加速了药物发现管道.
- 复杂的生物样本的直接分析可以在没有毛细血管阻塞的情况下实现.
结论:
- DESI-MS提供了一个统一的,高效的平台来加速药物发现,从初始查到候选药物的评估.
- DESI的独特功能,包括与自动化和生物样本的兼容性,为未来的药物开发提供了显著的优势.
- 这种综合方法有可能简化和加快新药候选药物的识别.
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