Structure-Guided WRN Inhibitor Data for MSI-H Tumors

A dataset from figshare, authored by Qibang Sui and last updated in June 2026, describes the discovery of Werner Syndrome RecQ helicase (WRN) inhibitors for treating microsatellite instability-high tumors. It includes data on spirocyclic compounds and benzo-fused heterocyclic analogs, with a focus on the candidate Q15. The dataset is 775.0 KB in size and contains PDB files.

Use Cases

• Structure-activity relationship analysis based on the described spirocyclic and benzo-fused heterocyclic compound classes.
• Evaluating oral pharmacokinetic properties based on the comparative in vivo data for compounds Q15 and HRO761.
• Assessing antitumor efficacy based on the described complete tumor regression at a 40 mg/kg dose.
• Preliminary safety profiling based on the favorable safety profile indicated for candidate Q15.

Strengths

• Includes structural data in PDB format, likely detailing the WRN-HRO761 complex.
• Describes specific, named drug candidates (Q15, HRO761) with comparative in vitro and in vivo results.
• Provides concrete efficacy metrics, such as complete tumor regression at a 40 mg/kg dose.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is small at 775.0 KB, indicating limited scope.

Provenance

Source

figshare

Collection Method

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

Freshness

Last updated 2026-06-03 18:37:14; freshness should be verified.