HARIBOSS

HARIBOSS provides a curated database of RNA–small molecule structural data and supports in silico identification and design of small molecules that target RNA for therapeutic applications.

Key Features:

• Curated Collection: Compilation of RNA–small molecule structures determined by X-ray crystallography, nuclear magnetic resonance (NMR) spectroscopy, and cryo-electron microscopy (cryo-EM).
• Facilitation of Drug Discovery: Includes drug-like compounds known to bind RNA together with information on ligands and their binding pockets to inform ligand-based and structure-based analyses.
• Addressing "Undruggable" Targets: Focus on RNA as therapeutic targets for diseases linked to protein targets considered "undruggable," enabling alternative intervention strategies.
• In Silico Strategy Development: Supports development and application of computational strategies to identify and design RNA-targeting small molecules.

Scientific Applications:

• RNA-targeted drug discovery: Enables discovery and prioritization of small molecules that bind RNA for therapeutic development.
• Structural analysis of RNA–SM interactions: Facilitates detailed examination of RNA–small molecule recognition and binding pocket geometry using high-resolution structural data.
• Ligand property characterization: Supports analysis of ligand chemical properties relevant to RNA binding and optimization.
• Targeting alternative disease mechanisms: Informs strategies to target diseases (e.g., cancer, neurodegenerative and muscular disorders, bacterial infections) via RNA rather than protein targets.

Methodology:

Use of curated RNA–small molecule structural data derived from X-ray crystallography, NMR, and cryo-EM to develop and apply in silico computational strategies for identifying and designing RNA-targeting small molecules.