Development of Water-Trapping Pyrrole-2-carboxylic Acids as Broad-Spectrum Metallo-β-lacta

Research data on the structure-guided development of pyrrole-2-carboxylic acid derivatives as inhibitors of metallo-β-lactamase (MBL) enzymes. The dataset includes crystallographic studies revealing the inhibition mechanism via Zn(II)-coordination and water molecule trapping. It was authored by Monisha Singha and last updated on 2026-05-14.

Use Cases

• Evaluating inhibitor potency against B1 MBLs (NDM-1, VIM-1, VIM-2, IMP-1) based on the described structural studies
• Analyzing Zn(II)-coordination binding modes based on crystallographic data
• Assessing carbapenem activity enhancement in MBL-producing clinical isolates based on the described experimental results
• Developing selective metalloenzyme inhibitors based on the water-trapping approach described

Strengths

• Includes crystallographic studies revealing the specific inhibition mechanism
• Focuses on clinically important B1 MBLs (NDM-1, VIM-1, VIM-2, IMP-1) as described
• Data is shared under a CC-BY-NC-4.0 license, allowing for non-commercial reuse

Limitations

• Dataset size is 384.2 KB, indicating a very limited scope of data
• Column-level documentation is absent; field semantics must be inferred after download
• Row count is unknown, which may limit suitability assessment

Provenance

Source

figshare

Collection Method

Structure-guided development and crystallographic studies, as described.

Freshness

Last updated 2026-05-14 21:32:00; freshness should be verified