An Algorithm to Improve the Speed of Semi- and Non-Specific Enzyme Searches in Proteomics

(E-pub Ahead of Print)

Author(s): Zach Rolfs, Robert J. Millikin, Lloyd M. Smith*.

Journal Name: Current Bioinformatics

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Abstract:

Background: The identification of non-specifically cleaved peptides in proteomics and peptidomics poses a significant computational challenge. Current strategies for the identification of such peptides are typically time consuming and hinder routine data analysis.

Objective: We aimed to design an algorithm that would improve the speed of semi- and non-specific enzyme searches and could be applicable to existing search programs.

Method: We developed a novel search algorithm that leverages fragment-ion redundancy to simultaneously search multiple non-specifically cleaved peptides at once. Briefly, a theoretical peptide tandem mass spectrum is generated using only the fragment-ion series from a single terminus. This spectrum serves as a proxy for several shorter theoretical peptides sharing the same terminus. After database searching, amino acids are removed from the opposing terminus until the observed and theoretical precursor masses match within a given mass tolerance.

Results: The algorithm was implemented in the search program MetaMorpheus and found to perform an order of magnitude faster than the traditional MetaMorpheus search and produce superior results.

Conclusion: We report a speedy non-specific enzyme search algorithm which is open-source and enables search programs to utilize fragment-ion redundancy to achieve a notable increase in search speed.

Keywords: Proteomics, Algorithm, Peptidomics, Non-specific, Nonspecific, No-enzyme, Semi-specific, Open-Source

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Article Details

(E-pub Ahead of Print)
DOI: 10.2174/1574893615999200429123334
Price: $95