Bis-Triazole Benzenesulfonamide Inhibitors with Chemosensitizing Activity

A dataset from figshare published by Eslam Roshdy on 2026-04-30. It contains data on rationally designed bis-triazole-linked benzenesulfonamide compounds evaluated as selective carbonic anhydrase IX/XII inhibitors. The dataset likely includes biological evaluation results, such as inhibition constants (KI) for cancer-associated isoforms hCA IX and XII, and chemosensitizing activity data in breast and pancreatic cancer cells.

Use Cases

• Training predictive models for inhibitor selectivity based on compound structure and reported KI values.
• Benchmarking new carbonic anhydrase inhibitors against the reported nanomolar activity of compounds 2g and 4g.
• Analyzing chemosensitizing effects for combination therapy design based on the described enhancement of azacitidine and sorafenib.
• Validating molecular modeling approaches using the described zinc coordination and active-site interaction data.

Strengths

• Includes specific nanomolar inhibition constants (KI) for lead compounds 2g (hCA IX KI = 25.1 nM, hCA XII KI = 35.2 nM) and 4g (hCA IX KI = 28.1 nM, hCA XII KI = 11.6 nM).
• Describes a clear biological application: compounds showed chemosensitizing activity in breast and pancreatic cancer cells under normoxic and hypoxic conditions.
• Dataset is published 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 very small (1.5 KB), indicating limited scope.

Provenance

Source

figshare

Collection Method

Rational design, synthesis, and biological evaluation as described.

Freshness

Last updated 2026-04-30 09:33:44; freshness should be verified.