metaExpertPro:一个计算工作流程的metaproteomics光谱图书馆建设和数据独立的获取质谱测量数据分析数据分析
Yingying Sun1, Ziyuan Xing1, Shuang Liang2
1Westlake Center for Intelligent Proteomics, Westlake Laboratory of Life Sciences and Biomedicine, Hangzhou, Zhejiang Province, China; School of Medicine, School of Life Sciences, Westlake University, Hangzhou, Zhejiang Province, China; Research Center for Industries of the Future, Westlake University, Hangzhou, Zhejiang, China.
Molecular & cellular proteomics : MCP
|September 15, 2024
概括
一个新的计算管道,metaExpertPro,简化了从质谱学的复杂的metaproteomics数据的分析. 它准确地识别和量化微生物和宿主蛋白质,揭示了对肠道健康和疾病的洞察力.
科学领域:
- 代谢学和蛋白质学
- 计算生物学 计算生物学
- 微生物组研究 微生物组研究
背景情况:
- 分析大规模数据独立获取质谱 (DIA-MS) 甲型蛋白质组学数据带来了重大的计算挑战.
- 现有的工具往往难以达到全面的元蛋白质组分析所需的深度和准确性.
研究的目的:
- 介绍metaExpertPro,一个新的计算管道,旨在实现高效和准确的metaproteomics数据分析.
- 在识别,量化和功能性注释功能方面评估metaExpertPro的性能.
主要方法:
- metaExpertPro集成了光谱库生成 (数据依赖采集MS),蛋白质识别/定量 (DIA-MS) 和功能/分类学注释.
- 该管道使用FragPipe和DIA-NN,支持Orbitrap和timsTOF MS仪器.
- 使用人类便样本和基准测试进行了广泛的评估.
主要成果:
- metaExpertPro平均每样本量化了4.5万个,在和蛋白质识别方面表现优于现有的软件.
- 管道显示了低的虚假发现率 (约. 5%) 的蛋白质组和高精度的属性多样性分析.
- 定量结果显示,在公共肠道微生物数据库中具有很高的可重复性,并揭示了失脂症患者微生物功能的特征性变化.
结论:
- metaExpertPro提供了一个强大的,准确的解决方案,用于metaproteomics数据分析,增强我们对微生物群落的理解.
- 该管道有助于发现微生物与宿主相互作用以及各种健康状况中的功能变化.
- metaExpertPro代表了微生物组研究计算工具的重大进步.
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