KinaseFusionDB

KinaseFusionDB provides functional annotation of kinase fusion genes, predicted protein structures, and virtual screening data for drug repurposing.

Key Features:

• Functional Annotation: Provides functional annotation of 7680 kinase fusion genes.
• Structural Prediction: Predicts 3D structures of kinase fusion proteins using an in silico pipeline, yielding 1399 predicted fusion protein structures.
• Confidence Scoring: Incorporates predicted Local Distance Difference Test (pLDDT)-based confidence scoring for predicted structures.
• Virtual Screening: Performs structure-based virtual screening using FDA-approved kinase inhibitors, yielding repurposing opportunities and isoform-specific binding preferences.
• Structural Analysis: Demonstrates shared structural motifs with known Protein Data Bank structures despite variation in fusion breakpoints.

Scientific Applications:

• Kinase Fusion Research: Investigates kinase fusion structure-function relationships across pan-cancer kinase fusions.
• Drug Repurposing: Identifies repurposing opportunities for FDA-approved kinase inhibitors in the context of kinase fusion oncoproteins.
• Personalized Therapy Design: Guides the design of personalized and next-generation kinase inhibitor therapies.
• Structural Annotation: Enables large-scale structural annotation of kinase fusion proteins.

Methodology:

KinaseFusionDB employs an in silico pipeline for predicting 3D structures of kinase fusion proteins and performing structure-based virtual screening with FDA-approved kinase inhibitors. Structural alignment with known Protein Data Bank structures is performed to assess shared structural motifs.