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

A dataset from 2026 describing the rational design and evaluation of Werner Syndrome RecQ helicase (WRN) inhibitors for treating microsatellite instability-high tumors. It was authored by Qibang Sui and shared on figshare. The data likely contains structural and experimental results for spirocyclic compounds and benzo-fused heterocyclic analogs.

Use Cases

• Comparing in vitro potency and cellular selectivity of novel WRN inhibitors based on the described compound series.
• Analyzing oral pharmacokinetic properties of drug candidates relative to a known benchmark compound.
• Evaluating antitumor efficacy and safety profiles of lead compounds in preclinical models.
• Studying structure-activity relationships for compounds targeting the solvent-exposed region of the WRN helicase.

Strengths

• Includes specific, named lead compounds (Q15) and benchmark (HRO761) with detailed performance comparisons.
• Provides concrete efficacy metrics, including complete tumor regression at a 40 mg/kg dose.
• Data is shared under a CC-BY-NC-4.0 license, allowing for non-commercial reuse with attribution.

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 small (763.5 KB), indicating limited scope.

Provenance

Source

figshare

Collection Method

Likely contains results from rational drug design and in vitro/in vivo experiments.

Freshness

Last updated 2026-06-03 18:37:22; freshness should be verified.