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

Research data from figshare, authored by Qibang Sui and last updated in June 2026, describes the discovery of novel Werner Syndrome RecQ helicase (WRN) inhibitors. The dataset, 773.9 KB in size, includes structural data in PDB format related to compounds like HRO761 and Q15, which were designed to treat microsatellite instability-high tumors. It documents in vitro activity, cellular selectivity, and in vivo pharmacokinetic and antitumor efficacy results.

Use Cases

• Training predictive models for inhibitor potency based on structural features mentioned in the description
• Benchmarking new compound designs against the reported in vitro and in vivo efficacy of Q15
• Analyzing structure-activity relationships for spirocyclic and benzo-fused heterocyclic analogs

Strengths

• Includes specific, named compounds (HRO761, Q15) with detailed in vivo results, such as complete tumor regression at 40 mg/kg
• Data is associated with a clear, peer-reviewed research narrative on a novel therapeutic strategy for MSI-H tumors

Limitations

• Row count is unknown, which may limit suitability assessment
• Column-level documentation is absent; field semantics must be inferred after download
• Description metadata is limited; actual data quality requires manual inspection after download

Provenance

Source

figshare

Collection Method

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

Freshness

Last updated 2026-06-03 18:37:20; freshness should be verified