Protein interaction explorer (PIE): a comprehensive platform for navigating protein-protein interactions and ligand binding pockets.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 38917415.
- Also identified by DOI 10.1093/bioinformatics/btae414 and PMC identifier 11223782.
- Licence recorded as CC BY.
- The licence permits redistribution, so the abstract is shown in full and the full text is available from the publisher.
Abstract
Protein Interaction Explorer (PIE) is a new web-based tool integrated to our database iPPI-DB, specifically crafted to support structure-based drug discovery initiatives focused on protein-protein interactions (PPIs). Drawing upon extensive structural data encompassing thousands of heterodimer complexes, including those with successful ligands, PIE provides a comprehensive suite of tools dedicated to aid decision-making in PPI drug discovery. PIE enables researchers/bioinformaticians to identify and characterize crucial factors such as the presence of binding pockets or functional binding sites at the interface, predicting hot spots, and foreseeing similar protein-embedded pockets for potential repurposing efforts. PIE is user-friendly and readily accessible at https://ippidb.pasteur.fr/targetcentric/. It relies on the NGL visualizer.
Medical subject headings
- Proteins
- Software
- Protein Interaction Mapping