Fast and accurate genome-wide predictions and structural modeling of protein-protein interactions using Galaxy

BMC Bioinformatics. 2023 Jun 23;24(1):263. doi: 10.1186/s12859-023-05389-8.

Abstract

Background: Protein-protein interactions play a crucial role in almost all cellular processes. Identifying interacting proteins reveals insight into living organisms and yields novel drug targets for disease treatment. Here, we present a publicly available, automated pipeline to predict genome-wide protein-protein interactions and produce high-quality multimeric structural models.

Results: Application of our method to the Human and Yeast genomes yield protein-protein interaction networks similar in quality to common experimental methods. We identified and modeled Human proteins likely to interact with the papain-like protease of SARS-CoV2's non-structural protein 3. We also produced models of SARS-CoV2's spike protein (S) interacting with myelin-oligodendrocyte glycoprotein receptor and dipeptidyl peptidase-4.

Conclusions: The presented method is capable of confidently identifying interactions while providing high-quality multimeric structural models for experimental validation. The interactome modeling pipeline is available at usegalaxy.org and usegalaxy.eu.

Keywords: Galaxy workflow; Protein–protein interactions; Structural modeling.

MeSH terms

  • COVID-19*
  • Humans
  • Protein Interaction Mapping*
  • RNA, Viral / metabolism
  • SARS-CoV-2
  • Saccharomyces cerevisiae / metabolism

Substances

  • RNA, Viral