RNA-Focused DEL Platform for Ligands of r(G4C2)exp RNA

A DNA-encoded library enriched for RNA-binding scaffolds was constructed and applied to identify ligands for the toxic RNA repeat expansion r(G4C2)exp implicated in ALS and frontotemporal dementia. Selection outcomes were analyzed through large-scale molecular docking integrated with physicochemical and structure–activity relationship analyses. The dataset, authored by Xueyi Yang and last updated in May 2026, demonstrates a platform for RNA-targeted small-molecule discovery.

Use Cases

• Identifying RNA-binding small molecules based on DNA-encoded library selection outcomes
• Correlating docking predictions with experimental enrichment trends to support lead identification
• Optimizing lead compounds based on rational design for enhanced binding affinity and bioactivity

Strengths

• The dataset is derived from a DEL specifically enriched for privileged RNA-binding scaffolds, suggesting a focused chemical space.
• Analysis integrates large-scale molecular docking with physicochemical and SAR analyses, indicating a multi-faceted approach.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is 83.6 KB, indicating a very limited scope of data.

Provenance

Source

figshare

Collection Method

Constructed from a solid-phase DNA-encoded library and analyzed via docking and SAR.

Freshness

Last updated 2026-05-08 06:03:36; freshness should be verified.