Degradation-Risk-Inspired Optimization of the Antifungal Oxazolinyl Aniline Lead by a Fusion of Triazole with Nicotinamide.

J Agric Food Chem

State Key Laboratory of Green Pesticide, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for R&D of Fine Chemicals of Guizhou University, Guiyang 550025, China.

Published: August 2024

The discovery of readily available and easily modifiable new models is a crucial and practical solution for agrochemical innovation. Antifungal function-oriented fusion of triazole with the prevalidated lead ()- affords a novel framework with a broad and enhanced antifungal spectrum. Characterized by the easy accessibility and adjustability of [1,2,4]triazolo[4,3-]pyridine, modular fine-tuning provided a set of unprecedented leads (e.g., , , , etc.) with superior antifungal potentials than the positive control boscalid. Candidate exhibited a more promising antifungal activity against , , and with EC values of 0.7, 0.6, and 0.5 μM, respectively. This candidate could effectively control boscalid-resistant strains and also exhibit good efficacy in controlling gray mold. Noteworthily, both the SDH-inhibition and the efficiency against Oomycete are quite distinct from that of the positive control boscalid. A molecular docking simulation also differentiates from boscalid. These findings highlight the potential of [1,2,4]triazolo[4,3-]pyridine amide as a novel antifungal model.

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http://dx.doi.org/10.1021/acs.jafc.4c02025DOI Listing

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