ERB Antibiotics: Molecular Structures and Activity Against Multidrug-Resistant Pathogens

Mark Laws reports a dataset of novel Efflux Resistance Breaker (ERB)-modified fluoroquinolone antibiotics. The data includes molecular structures and antibacterial activity results, such as MIC reductions up to 512-fold and IC50 values against DNA gyrase. The dataset was last updated on 2026-05-29.

Use Cases

• Train predictive models for antibiotic activity based on molecular modifications described in the study.
• Analyze structure-activity relationships for compounds like KSN-L22 and BL-7 against specific pathogens.
• Benchmark pharmacokinetic and pharmacodynamic (PK/PD) profiles for oral and intravenous dosing.
• Study the inhibition efficacy against mutant DNA gyrase (S84L) as described.

Strengths

• Includes specific potency metrics, such as a 512-fold reduction in MIC and an IC50 of ~3.8 μg/mL against DNA gyrase.
• Reports in vivo efficacy data, including a >4-log bacterial load reduction in a murine thigh infection model.
• Contains 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.
• Data may reflect experimental bias inherent to the specific in vitro and in vivo models used.

Provenance

Source

Mark Laws via figshare

Collection Method

Likely contains experimental results from the synthesis and testing of ERB-modified fluoroquinolones.

Freshness

Last updated 2026-05-29 04:48:34; freshness should be verified.