iPPI-DB

iPPI-DB catalogs non-peptide small molecules that modulate protein-protein interactions and aggregates associated structural, pharmacological, binding, activity, pharmacokinetic, and cytotoxicity data to support PPI-targeted drug discovery and exploration of the druggable genome.

Key Features:

• Data diversity: Curated entries include structural information, pharmacological profiles, binding characteristics, activity data, pharmacokinetics, cytotoxicity, and details about PPI targets.
• Community curation: Crowdsourcing mechanisms enable external experts to suggest and validate new entries to enhance dataset completeness and accuracy.
• Updated data model and advanced querying: An updated data model and advanced querying tools support structured representation and retrieval of PPI modulator data.
• Expanded scope: The collection covers both traditional PPI modulators and PPI stabilizers.
• Persistent query sharing and FAIR compliance: Queries can be shared via persistent links and the resource adheres to FAIR (Findable, Accessible, Interoperable, Reusable) data principles.

Scientific Applications:

• PPI-targeted drug discovery: Supports identification and prioritization of small-molecule therapeutic candidates targeting protein-protein interactions.
• Mechanistic analysis: Facilitates investigation of mechanisms underlying PPI modulation using curated binding and activity data.
• Chemical and pharmacokinetic profiling: Enables mining of structural and pharmacokinetic data to inform design and optimization of non-peptide PPI modulators.

Methodology:

Data are manually curated and updated with community contributions via crowdsourcing; queries can be shared through persistent links, the resource follows FAIR data principles, and data are provided in CSV format.