Design and Synthesis of Bis-Triazole-Linked Benzenesulfonamides as Selective Carbonic Anhy

Two bis-triazole-linked benzenesulfonamide compounds, 2g and 4g, exhibited nanomolar inhibition of cancer-associated enzymes hCA IX and hCA XII. The dataset, authored by Eslam Roshdy and last updated in April 2026, likely contains molecular structures and biological evaluation data for these designed inhibitors. It includes PDB files, suggesting the presence of molecular modeling and simulation results.

Use Cases

• Training predictive models for enzyme inhibition based on molecular structure data mentioned in the description
• Evaluating chemosensitizing activity of compounds in cancer cell lines under hypoxic conditions
• Analyzing selectivity profiles between cancer-associated and off-target carbonic anhydrase isoforms

Strengths

• Includes specific nanomolar inhibition constants (KI) for compounds 2g and 4g against hCA IX and XII
• Description details chemosensitizing activity with azacitidine and sorafenib in breast and pancreatic cancer cells
• Contains molecular modeling and simulation studies supporting zinc coordination and active-site interactions

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 (312.6 KB), indicating a limited scope of data

Provenance

Source

figshare

Collection Method

Rational design, synthesis, and biological evaluation as described in the research summary.

Freshness

Last updated 2026-04-30 09:33:47; freshness should be verified