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MRMaid 2.0:从 PRIDE 数据中挖掘基于证据的 SRM 转变。

MRMaid 2.0: mining PRIDE for evidence-based SRM transitions.

机构信息

Cranfield Bioinformatics Group, Cranfield Health, Cranfield University, Bedfordshire, UK.

出版信息

OMICS. 2012 Sep;16(9):483-8. doi: 10.1089/omi.2011.0143. Epub 2012 Jul 17.

Abstract

Selected reaction monitoring (SRM) is becoming the tool of choice for targeted quantitative proteomics. The fundamental principle of proteomic SRM is that, for a given protein of interest, there is a set of peptides that are unique to that protein. The characteristic retention time (RT), and intact peptide m/z of these so-called proteotypic peptides are then programmed into the mass spectrometer, along with the m/z of high-intensity product ions for targeted quantitation. The particular combination of RT, peptide m/z, and product m/z for a given peptide is referred to as a transition. Selection of the most appropriate set of transitions for a given set of proteins is crucial to any SRM experiment. We previously developed the web-based MRMaid tool, which suggested the optimal transitions for a given human protein by mining spectral evidence from a small in-house database. In this article we present a completely new implementation of MRMaid, which offers substantial improvements over the original. The new version, MRMaid 2.0, uses spectra from the EBI's PRIDE database, which massively increases the coverage and quality of transitions. Transition lists can now be generated for multiple proteins simultaneously, edited within the web browser, and exported for laboratory use.

摘要

选择反应监测 (SRM) 正成为靶向定量蛋白质组学的首选工具。蛋白质组学 SRM 的基本原理是,对于给定的感兴趣的蛋白质,存在一组该蛋白质特有的肽。然后,将这些所谓的蛋白质特征肽的特征保留时间 (RT) 和完整肽 m/z 编程到质谱仪中,以及用于靶向定量的高强度产物离子的 m/z。给定肽的特定 RT、肽 m/z 和产物 m/z 的组合称为转换。选择给定蛋白质组最合适的转换组合对于任何 SRM 实验都至关重要。我们之前开发了基于网络的 MRMaid 工具,该工具通过从内部数据库挖掘光谱证据,为给定的人类蛋白质建议最佳的转换。在本文中,我们提出了 MRMaid 的全新实现,与原始版本相比有了实质性的改进。新版本 MRMaid 2.0 使用 EBI 的 PRIDE 数据库中的光谱,极大地增加了转换的覆盖范围和质量。现在可以同时为多个蛋白质生成转换列表,在网络浏览器中进行编辑,并导出供实验室使用。

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