mPPI

mPPI visualizes multiple protein-protein interaction conformations for a single protein to expand structural interactome coverage and support multi-target analyses such as drug discovery and protein macro-complex structure prediction.

Key Features:

• Multi-Target Visualization: Displays a single protein with multiple concurrent interactors at both atomic and system levels.
• Structural Interactome Expansion: Integrates a protein-protein docking algorithm to predict complexes not experimentally resolved, thereby extending structural interactome coverage.
• Support for Drug Discovery and Complex Prediction: Simultaneous visualization of multiple interactors facilitates multi-target drug discovery and structure prediction of protein macro-complexes.
• Demonstrated Disease Application: Applied within a neurodegenerative disease-related PPI database to investigate disease-relevant interaction networks.

Scientific Applications:

• Interaction Network Exploration: Enables analysis and visualization of complex protein interaction networks involving multiple interactors.
• Multi-Target Drug Discovery: Supports evaluation of multi-target therapeutic strategies by revealing concurrent interactors and predicted complexes.
• Structural Biology and Complex Prediction: Aids prediction of protein macro-complex structures using docking-derived models.
• Disease-Specific Interactome Analysis: Facilitates investigation of neurodegenerative disease-associated interaction architectures.

Methodology:

mPPI employs a protein-protein docking algorithm to predict interactions beyond experimentally resolved complexes and integrates those predicted complexes into PPI database visualizations.