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Inhibition of urease by urea/thiourea-derived heterocycles: IC50 profiling and structure-activity relationship

delete2026-03-23
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PRE
AI
A
Ali Bağ
O
Orhan Uluçay *
DOI：10.1016/j.biochi.2026.03.009delete
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Abstract

Abstract

En 中文
• Urea/thiourea heterocycles evaluated for urease inhibition. • Hydantoin scaffolds outperformed reference thiourea. • 2-Thiohydantoin showed the lowest IC50 (2.47 μM). • 2-Thiohydantoin showed IFD score of −8.254 kcal/mol. • Docking findings supported in vitro results and SAR analysis.
Keywords:
urease inhibition
hydantoin scaffolds
2-thiohydantoin
IC50
structure-activity relationship

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Biochimie cover
Biochimie
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3
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5.9K
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K
kafkas university
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Papers: 59
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