NDM-1 Covalent Inhibitors: IC50 and MIC Data for Cephalexin-Derived Compounds

Experimental data on covalent inhibitors designed to combat New Delhi metallo-β-lactamase-1 (NDM-1) antibiotic resistance. The dataset includes IC50 values for inhibitory activity, such as 3.27 μM for compound 16a, and meropenem MIC fold-change data from bacterial isolates and a mouse infection model. It was authored by Wandong Liu and uploaded to figshare on 2026-05-15.

Use Cases

• Training predictive models for inhibitor potency based on IC50 values.
• Analyzing synergistic effects between inhibitors and meropenem based on MIC fold-change data.
• Studying structure-activity relationships for cephalexin-derived covalent inhibitors.
• Validating computational docking or molecular dynamics simulations of the Cys208 binding site.

Strengths

• Includes specific, quantitative biological activity measurements like an IC50 of 3.27 μM.
• Data is derived from both in vitro assays and an in vivo mouse infection model, suggesting multi-faceted validation.

Limitations

• Dataset is very small at 1.9 KB, indicating limited scope and likely a small number of data points.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment for statistical modeling.

Provenance

Source

figshare

Collection Method

Likely contains results from laboratory experiments synthesizing and testing cephalexin-derived inhibitors.

Freshness

Last updated 2026-05-15 15:34:39; freshness should be verified.