Designing Antibiotics: ERB-Modified Fluoroquinolones Against MDR Pathogens

A 2026 dataset from figshare by Mark Laws reports novel Efflux Resistance Breaker (ERB)-modified fluoroquinolone antibiotics. The data likely contains results from in vitro and in vivo experiments, including MIC reductions of up to 512-fold and activity against pathogens like MRSA and Acinetobacter baumannii. The dataset is provided in PDB format and is 464.1 KB in size.

Use Cases

• Modeling structure-activity relationships based on ERB-modified fluoroquinolone compounds.
• Training predictive models for Minimum Inhibitory Concentration (MIC) based on the reported MIC90 values.
• Analyzing pharmacokinetic/pharmacodynamic (PK/PD) profiles for oral and intravenous dosing mentioned in the description.
• Studying enzyme inhibition patterns based on reported DNA gyrase (IC50) data.

Strengths

• Includes specific potency metrics, such as up to a 512-fold reduction in MIC and MIC90 values of 0.03–2 μg/mL.
• Reports in vivo efficacy data, including a > 4-log bacterial load reduction in a murine thigh infection model.
• Contains detailed safety and selectivity profiles, noting an absence of toxicity at 1200 mg/kg/day and no hERG or CYP450 liabilities.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment for large-scale ML tasks.
• The dataset's 464.1 KB size indicates a very limited scope, likely containing only a small set of experimental results or structural data.

Provenance

Source

figshare

Collection Method

Likely contains experimental results from antibiotic design and testing.

Freshness

Last updated 2026-05-29 04:48:28; freshness should be verified.