Carborane-Flavonoid Analogues: ER Agonist and COX Inhibitor Bioactivity Data

Yirong Zhang published a dataset on figshare in April 2026 detailing the synthesis and bioactivity of carborane-containing flavone and flavonol analogues. The 12.5 MB dataset includes results from assays measuring estrogen receptor (ER) agonist activities and cyclooxygenase (COX) inhibitory activities. For example, one compound showed an EC50 of 0.87 ± 0.07 μM for ERα with a 12.8-fold selectivity toward ERβ.

Use Cases

• Train QSAR models based on carborane substitution and bioactivity data.
• Screen for potential ERα-selective agonists based on reported EC50 values.
• Investigate structure-activity relationships for COX-1 and COX-2 inhibition.
• Benchmark computational docking studies against experimental agonist activities.

Strengths

• Includes specific quantitative bioactivity metrics, such as an EC50 of 0.87 ± 0.07 μM for a key compound.
• Dataset is focused on a specific chemical modification (carborane substitution) with reported biological outcomes.
• Published under a CC-BY-NC-4.0 license, clarifying reuse terms.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Data may reflect experimental bias inherent to the single-source synthesis and assay methods.

Provenance

Source

Yirong Zhang via figshare.

Collection Method

Likely contains experimental data from chemical synthesis and biological assays.

Freshness

Last updated 2026-04-13 19:33:29.