Protein Interaction Explorer (PIE): A Web Platform for Exploring Protein-Protein Interactions - Institut Pasteur Access content directly
Conference Poster Year : 2024

Protein Interaction Explorer (PIE): A Web Platform for Exploring Protein-Protein Interactions

Abstract

Protein-protein interactions (PPIs) are fundamental to numerous biological processes and represent promising targets for drug discovery. Understanding PPIs’ three-dimensional (3D) structure is critical for identifying potential drug-binding sites (ligandability). However, assessing ligandability and targeting PPIs pose significant challenges due to the variability in binding sites and the lack of available ligands. The methodology behind this work involves rigorous protein selection criteria, structure quality filters, and preparation steps to ensure the reliability of the data and a web platform, the Protein Interaction Explorer (PIE), allowing the exploration of PPIs by integrating advanced visualization tools and leveraging extensive structural data. PIE offers unique features such as: • Pocket detection, filtration, and characterization based on VolSite, 89 descriptors provide detailed structural information. • Pocket Similarity based on Euclidean distances and Gaussian kernel. • Pocketome Visualization: TMAP tool creates a simplified visual representation of pocket similarity. • Hot Spot and Binding Site Prediction: FoldX [7] predicts hot spots (crucial amino acid), while InDeep [8] forecasts functional binding sites. By combining various visualization techniques and predictive tools (InDeep, VolSite, FoldX), PIE empowers researchers to navigate the intricate landscape of PPIs and serves as a comprehensive platform for investigating PPIs, offering valuable insights into molecular interactions and facilitating drug discovery endeavors. PIE is user-friendly and readily accessible at https://ippidb.pasteur.fr/targetcentric/. It relies on the NGL visualizer.
Fichier principal
Vignette du fichier
Poster iPPI-DB Jobim 2024.pdf (983.32 Ko) Télécharger le fichier
Origin Files produced by the author(s)

Dates and versions

pasteur-04619520 , version 1 (20-06-2024)

Identifiers

  • HAL Id : pasteur-04619520 , version 1

Cite

Fabien Mareuil, Alexandra Moine-Franel, Anuradha Kar, Michael Nilges, Constantin Bogdan Caimbur, et al.. Protein Interaction Explorer (PIE): A Web Platform for Exploring Protein-Protein Interactions. JOBIM2024 : Journées Ouvertes en Biologie, Informatique, et Mathématiques - 2024, Jun 2024, Toulouse (FRANCE), France. ⟨pasteur-04619520⟩
17 View
9 Download

Share

Gmail Mastodon Facebook X LinkedIn More