AI Article Synopsis
- SDHI fungicides are crucial for managing plant fungal diseases but are struggling with resistance issues due to frequent use and similar structures, highlighting a need for new compounds.
- Researchers designed and synthesized 31 new pyrazole β-ketonitrile derivatives, with compound A23 showing excellent antifungal activity against Rhizoctonia solani and strong inhibition of the SDH enzyme.
- A23's effectiveness is demonstrated by its low EC and IC values, and its ability to bind effectively to the target site in the fungus, suggesting it could be a promising candidate for future fungicide development.
Article Abstract
Background: Succinate dehydrogenase inhibitor (SDHI) fungicides play important roles in the control of plant fungal diseases. However, they are facing serious challenges from issues with resistance and cross-resistance, primarily attributed to their frequent application and structural similarities. There is an urgent need to design and develop SDHI fungicides with novel structures.
Results: Aiming to discover novel potent SDHI fungicides, 31 innovative pyrazole β-ketonitrile derivatives with diphenyl ether moiety were rationally designed and synthesized, which were guided by a 3D-QSAR model from our previous study. The optimal target compound A23 exhibited not only outstanding in vitro inhibitory activities against Rhizoctonia solani with a half-maximal effective concentration (EC) value of 0.0398 μg mL comparable to that for fluxapyroxad (EC = 0.0375 μg mL), but also a moderate protective efficacy in vivo against rice sheath blight. Porcine succinate dehydrogenase (SDH) enzymatic inhibitory assay revealed that A23 is a potent inhibitor of SDH, with a half-maximal inhibitory concentration of 0.0425 μm. Docking study within R. solani SDH indicated that A23 effectively binds into the ubiquinone site mainly through hydrogen-bonds, and cation-π and π-π interactions.
Conclusion: The identified β-ketonitrile compound A23 containing diphenyl ether moiety is a potent SDH inhibitor, which might be a good lead for novel fungicide research and optimization. © 2024 Society of Chemical Industry.
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| http://dx.doi.org/10.1002/ps.8269 | DOI Listing |
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