Structure-Guided Discovery of WRN Helicase Inhibitors for MSI-H Tumors

Qibang Sui published a dataset on figshare in June 2026 describing the discovery of Werner Syndrome RecQ helicase (WRN) inhibitors for treating microsatellite instability-high (MSI-H) tumors. The data, stored in PDB format, includes structural information used to design spirocyclic compounds and benzo-fused heterocyclic analogs, with a focus on candidate Q15. The dataset is 763.3 KB in size and is shared under a CC-BY-NC-4.0 license.

Use Cases

• Analyzing protein-ligand interactions based on the described WRN-HRO761 complex structure.
• Comparing in vitro and in vivo pharmacokinetic properties of novel inhibitor candidates like Q15 and HRO761.
• Evaluating structure-activity relationships for spirocyclic and benzo-fused heterocyclic compound classes.
• Assessing antitumor efficacy and safety profiles for potential MSI-H tumor treatments.

Strengths

• Includes structural data (PDB files) from a rational design process targeting a solvent-exposed region.
• Describes specific, potent inhibitor candidates (e.g., Q15) with quantified in vivo results, including tumor regression at 40 mg/kg.
• Dataset has a clear, non-commercial license (CC-BY-NC-4.0) and a recent publication date (2026-06-03).

Limitations

• Row count and column-level documentation are unknown, limiting suitability assessment.
• The dataset's 763.3 KB size suggests a limited scope, likely containing only specific structural or summary data.
• Description metadata is limited; actual data quality and completeness require manual inspection after download.

Provenance

Source

figshare, author Qibang Sui.

Collection Method

Likely contains data from rational drug design and experimental validation described in the associated research.

Freshness

Last updated 2026-06-03 18:37:25.