Designing Antibiotics: Efflux Resistance Breaker Compounds and Activity Data

A dataset from figshare, authored by Mark Laws and last updated in May 2026, reports on a novel Efflux Resistance Breaker (ERB) strategy for antibiotic design. It includes data on modified fluoroquinolone compounds, their antibacterial activity against multidrug-resistant pathogens, and pharmacokinetic profiles. The dataset is 464.1 KB in size and is available in PDB format.

Use Cases

• Modeling structure-activity relationships based on ERB-modified fluoroquinolone compounds.
• Training predictive models for minimum inhibitory concentration (MIC) based on reported MIC90 values of 0.03–2 μg/mL.
• Analyzing pharmacokinetic/pharmacodynamic (PK/PD) profiles based on oral and intravenous data mentioned.
• Screening for compound toxicity liabilities using reported data on hERG, CYP450, and off-target assays.

Strengths

• Includes specific potency metrics, such as up to a 512-fold reduction in MIC and IC50 values of ~3.8 μg/mL for DNA gyrase.
• Reports in vivo efficacy data, including a >4-log bacterial load reduction in a murine thigh infection model.
• Contains detailed safety and pharmacokinetic data, including absence of toxicity at 1200 mg/kg/day.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is small (464.1 KB), indicating a limited scope of data.

Provenance

Source

figshare

Collection Method

Likely contains experimental results from a research study on antibiotic design.

Freshness

Last updated 2026-05-29 04:48:43; freshness should be verified.