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© Research
Publication : Bioinformatics (Oxford, England)

Protein interaction explorer (PIE): a comprehensive platform for navigating protein-protein interactions and ligand binding pockets.

Team: Computational Structural Biology
Team: Statistical Genetics
Team: Structural Bioinformatics
Member: Céline Dormoy
Scientific Fields
Diseases
Organisms
Applications
Technique

Published in Bioinformatics (Oxford, England) - 01 Jul 2024

Mareuil F, Moine-Franel A, Kar A, Nilges M, Ciambur CB, Sperandio O

Link to Pubmed [PMID] – 38917415

Link to DOI – 10.1093/bioinformatics/btae414

Bioinformatics 2024 Jul; 40(7):

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.