SEMQuant: Extending Sipros-Ensemble with Match-Between-Runs for Comprehensive Quantitative Metaproteomics.

Abstract

Metaproteomics, utilizing high-throughput LC-MS, offers a profound understanding of microbial communities. Quantitative metaproteomics further enriches this understanding by measuring relative protein abundance and revealing dynamic changes under different conditions. However, the challenge of missing peptide quantification persists in metaproteomics analysis, particularly in data-dependent acquisition mode, where high-intensity precursors for MS2 scans are selected. To tackle this issue, the match-between-runs (MBR) technique is used to transfer peptides between LC-MS runs. Inspired by the benefits of MBR and the need for streamlined metaproteomics data analysis, we developed SEMQuant, an end-to-end software integrating Sipros-Ensemble's robust peptide identifications with IonQuant's MBR function. The experiments show that SEMQuant consistently obtains the highest or second highest number of quantified proteins with notable precision and accuracy. This demonstrates SEMQuant's effectiveness in conducting comprehensive and accurate quantitative metaproteomics analyses across diverse datasets and highlights its potential to propel advancements in microbial community studies. SEMQuant is freely available under the GNU GPL license at https://github.com/Biocomputing-Research-Group/SEMQuant.