TiPs

TiPs catalogs potential drug-target interactions across 150 pathogen species by leveraging structural information from drug-target crystallographic complexes to predict novel interactions between known drugs and uncharacterized pathogen proteins.

Key Features:

• Extensive Database: TiPS contains data on 5153 putative drug-target pairs across 150 pathogen species.
• Structural Insights: Provides detailed structural information about the mode of binding of drugs to targets derived from drug-target crystallographic complexes.
• Homology-Based Predictions: Exploits homology relationships between known drug targets and pathogen proteins to predict potential interactions.

Scientific Applications:

• Drug Repurposing: Identify candidate repurposing opportunities by mapping known drugs onto novel pathogen protein targets.
• Target Discovery: Support discovery of new drug targets among pathogen proteins to address drug resistance.
• Structural Biology Research: Enable study of molecular mechanisms of drug-target binding using crystallographic-derived structural details.

Methodology:

Predictions are based on structural information from drug-target crystallographic complexes combined with homology relationships between known drug targets and pathogen proteins to infer potential drug–protein interactions.