mspms:一个R包和GUI,用于通过质谱测量进行多重基质分析
Charlie Bayne1,2, Brianna Hurysz3,4,5, David J Gonzalez4,5,6
1Biomedical Sciences Graduate Program, University of California San Diego, La Jolla, CA, 92093, USA. chbayne@health.ucsd.edu.
BMC bioinformatics
|January 24, 2026
概括
我们开发了mspms,一个R包和Web工具,以简化通过质谱测量 (MSP-MS) 数据对多重基质剖析的分析. 这种工具使得复杂的蛋白酶基质特异性分析可供研究人员使用.
科学领域:
- 蛋白质组学是指蛋白质组学
- 酶学 是一种酶学.
- 生物信息学是一种生物信息学.
背景情况:
- 通过质谱法 (MSP-MS) 进行多重基质剖析对于理解蛋白酶功能至关重要.
- 分析复杂的MSP-MS数据集给研究人员带来了重大挑战.
- 目前MSP-MS分析工具的有限可访问性阻碍了更广泛的采用.
研究的目的:
- 为MSP-MS数据分析开发一个用户友好和全面的软件解决方案.
- 为了简化整个工作流程,从数据预处理到可视化.
- 提高专家和非专家用户在蛋白酶研究中的可访问性.
主要方法:
- 开发了"mspms"的R包和一个附带的图形用户界面 (GUI).
- 实施标准化工作流程,用于数据准备,处理和统计分析.
- 使用MSP-MS数据从具有良好特征的cathepsins (A-D) 进行验证.
主要成果:
- "mspms"包和GUI为MSP-MS数据分析提供了一个简化和可访问的平台.
- 该工具成功地标准化了数据工作流程,包括预处理,规范化,统计测试和可视化.
- 验证证实",mspms"准确地捕捉了已知的基质特异性.
结论:
- "mspms"是第一个全面的,公开可用的平台,用于识别后的MSP-MS数据分析.
- 它为蛋白酶研究提供了一个综合,透明和用户友好的框架.
- R包和在线GUI促进了更广泛的使用,并推进了蛋白酶研究领域.
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