Pyrrole-2-Carboxylic Acid Derivatives as Metallo-β-Lactamase Inhibitors

Monisha Singha published structural data on figshare in May 2026. The dataset contains Protein Data Bank (PDB) files detailing the development of pyrrole-2-carboxylic acid derivatives as inhibitors for metallo-β-lactamase enzymes. The research aims to combat antibiotic resistance by targeting enzymes like NDM-1, VIM-1, VIM-2, and IMP-1.

Use Cases

• Analyzing protein-ligand binding interactions based on crystallographic studies mentioned in the description
• Training models for inhibitor design based on the water-trapping mechanism described
• Evaluating compound selectivity over other metalloenzymes as discussed in the research summary

Strengths

• Includes crystallographic studies revealing the inhibitor mechanism of action
• Focuses on clinically important B1 MBL enzymes (NDM-1, VIM-1, VIM-2, IMP-1)

Limitations

• Dataset size is only 526.8 KB, indicating a very limited scope of structural data
• Column-level documentation is absent; field semantics must be inferred after download

Provenance

Source

figshare

Collection Method

Structure-guided development and crystallographic studies, as described.

Time Range

Publication date is 2026-05-14.

Freshness

Last updated 2026-05-14 21:31:59; freshness should be verified

Geography

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