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ID: ALA4052712

Journal: Bioorg Med Chem Lett

Title: Design and optimization of highly-selective, broad spectrum fungal CYP51 inhibitors.

Authors: Yates CM, Garvey EP, Shaver SR, Schotzinger RJ, Hoekstra WJ.

Abstract: While the orally-active azoles such as fluconazole and posaconazole are effective antifungal agents, they potently inhibit a broad range of off-target human cytochrome P450 enzymes (CYPs) leading to various safety issues (e.g., drug-drug interactions, liver, and reproductive toxicities). Recently we described the rationally-designed, antifungal agent VT-1161 that is more selective for fungal CYP51 than related human CYP enzymes such as CYP3A4. Herein, we describe the use of a homology model of Aspergillus fumigatus to design and optimize a novel series of highly selective, broad spectrum fungal CYP51 inhibitors. This series includes the oral antifungal VT-1598 that exhibits excellent potency against yeast, dermatophyte, and mold fungal pathogens.

CiteXplore: 28651982

DOI: 10.1016/j.bmcl.2017.06.037