Jump to main content
Jump to site search

Issue 11, 2017
Previous Article Next Article

Automatic assignment of metal-containing peptides in proteomic LC-MS and MS/MS data sets

Author affiliations

Abstract

Transition metal-containing proteins and enzymes are critical for the maintenance of cellular function and metal-based (metallo)drugs are commonly used for the treatment of many diseases, such as cancer. Detection and characterisation of metallodrug targets is crucial for improving drug-design and therapeutic efficacy. Due to the unique isotopic ratios of many metal species, and the complexity of proteomic samples, standard MS data analysis of these species is unsuitable for accurate assignment. Herein a new method for differentiating metal-containing species within complex LCMS data is presented based upon the Smart Numerical Annotation Procedure (SNAP). SNAP-LC accounts for the change in isotopic envelopes for analytes containing non-standard species, such as metals, and will accurately identify, record, and display the particular spectra within extended LCMS runs that contain target species, and produce accurate lists of matched peaks, greatly assisting the identification and assignment of modified species and tailored to the metals of interest. Analysis of metallated species obtained from tryptic digests of common blood proteins after reactions with three candidate metallodrugs is presented as proof-of-concept examples and demonstrates the effectiveness of SNAP-LC for the fast and accurate elucidation of metallodrug targets.

Graphical abstract: Automatic assignment of metal-containing peptides in proteomic LC-MS and MS/MS data sets

Back to tab navigation

Supplementary files

Publication details

The article was received on 13 Jan 2017, accepted on 24 Apr 2017 and first published on 26 Apr 2017


Article type: Paper
DOI: 10.1039/C7AN00075H
Citation: Analyst, 2017,142, 2029-2037
  •   Request permissions

    Automatic assignment of metal-containing peptides in proteomic LC-MS and MS/MS data sets

    C. A. Wootton, Y. P. Y. Lam, M. Willetts, M. A. van Agthoven, M. P. Barrow, P. J. Sadler and P. B. O′Connor, Analyst, 2017, 142, 2029
    DOI: 10.1039/C7AN00075H

Search articles by author

Spotlight

Advertisements