Pyrimidoindole Derivatives with Activity Against Drug-Resistant Bacteria

Compound 65, a pyrimido[4,5-b]indole derivative, demonstrated potent broad-spectrum activity against multidrug-resistant Gram-negative bacteria without detectable hERG liability. The dataset contains results from a structure-based design campaign to overcome pharmacokinetic limitations of earlier compounds. Yuzhi Liu published this data on figshare in April 2026.

Use Cases

• Analyze structure-activity relationships between pyrimidoindole scaffold modifications and antibacterial potency.
• Compare pharmacokinetic properties and hERG inhibition liabilities across the designed compound series.
• Model the in vivo efficacy of compound 65 against levofloxacin in murine infection models.

Strengths

• Data is recent, published in April 2026.
• Focus on a specific, promising chemical scaffold (pyrimido[4,5-b]indole) for a critical public health threat.

Limitations

• Dataset is very small at 10.4 KB, indicating limited scope and likely few data points.
• Specific row count, column names, and sample data are unavailable for assessment.

Provenance

Source

figshare, authored by Yuzhi Liu.

Collection Method

Data generated from structure-based scaffold modification, CADD-guided optimization, and subsequent biological evaluation.

Time Range

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Freshness

Last updated April 2026.

Geography

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