Abstract
Based on the results of computational docking to the active site of the cytochrome P450 14alpha-demethylase (CYP51), a series of 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-substituted benzylamino-2-propanols as analogs of fluconazole were designed, synthesized, and evaluated as antifungal agents. Results of preliminary antifungal tests against eight human pathogenic fungi in vitro showed that all the title compounds exhibited excellent activities with broad spectrum.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Antifungal Agents / chemical synthesis*
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Antifungal Agents / pharmacology
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Catalytic Domain
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Chemistry, Pharmaceutical / methods*
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Computer Simulation
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Crystallography, X-Ray / methods
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Cytochrome P-450 Enzyme Inhibitors*
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Cytochrome P-450 Enzyme System / chemistry
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Drug Design
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Fluconazole / chemical synthesis*
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Fluconazole / pharmacology
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Fungal Proteins / antagonists & inhibitors*
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Fungal Proteins / chemistry
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Microbial Sensitivity Tests
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Models, Chemical
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Propanols / chemical synthesis*
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Propanols / pharmacology
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Protein Binding
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Triazoles / chemistry
Substances
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Antifungal Agents
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Cytochrome P-450 Enzyme Inhibitors
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Fungal Proteins
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Propanols
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Triazoles
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cytochrome P-450 CYP51, Candida albicans
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Fluconazole
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Cytochrome P-450 Enzyme System