Structure-Guided WRN Inhibitor Data for MSI-H Tumor Treatment

A dataset from a drug discovery project targeting Werner Syndrome RecQ helicase (WRN) for treating microsatellite instability-high (MSI-H) tumors. It includes structural data and likely contains results for rationally designed spirocyclic compounds and benzo-fused heterocyclic analogs, including the candidate Q15. The dataset was authored by Qibang Sui and last updated on June 3, 2026.

Use Cases

• Analyzing structure-activity relationships based on the described spirocyclic and benzo-fused heterocyclic compound classes.
• Comparing in vitro activity and cellular selectivity profiles of WRN inhibitors like Q15 and HRO761.
• Evaluating oral pharmacokinetic properties and antitumor efficacy from in vivo studies described in the summary.

Strengths

• Includes structural data from the WRN-HRO761 complex, which guided inhibitor design.
• Contains results for the candidate Q15, which demonstrated complete tumor regression at 40 mg/kg in vivo.
• Dataset is shared under a CC-BY-NC-4.0 license, permitting 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), suggesting limited scope or a focused subset of results.

Provenance

Source

figshare

Collection Method

Likely contains data from rational drug design, in vitro assays, and in vivo pharmacokinetic and efficacy studies.

Freshness

Last updated 2026-06-03 18:37:21; freshness should be verified.