Discovery of Novel Orally Bioavailable Triazoles with Potent and Broad-Spectrum Antifungal Activity In Vitro and In Vivo

Journal of Medicinal Chemistry
2022.0

Abstract

In our continuing efforts to discover novel triazoles with improved antifungal activity in vitro and in vivo, a series of 41 novel compounds containing 1,2,3-triazole side chains were designed and synthesized via a click reaction based on our previous work. Most of the compounds showed moderate to excellent broad-spectrum antifungal activity in vitro. Among them, the most promising compound <b>9A</b><sub><b>16</b></sub> displayed excellent antifungal and anti-drug-resistant fungal ability (MIC<sub>80</sub> = 0.0156-8 μg/mL). In addition, compound <b>9A</b><sub><b>16</b></sub> showed powerful in vivo efficacy on mice systematically infected with <i>Candida albicans</i> SC5314, <i>Cryptococcus neoformans</i> H99, fluconazole-resistant <i>C. albicans</i> 100, and <i>Aspergillus fumigatus</i> 7544. Moreover, compared to fluconazole, compound <b>9A</b><sub><b>16</b></sub> showed better in vitro anti-biofilm activity and was more difficult to induce drug resistance in a 1 month induction of resistance assay in <i>C. albicans</i>. With favorable pharmacokinetics, an acceptable safety profile, and high potency in vitro and in vivo, compound <b>9A</b><sub><b>16</b></sub> is currently under preclinical investigation.

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