What question did this study set out to answer?

This research aims to design and evaluate new fungicides against Asian soybean rust.

May 13, 2026Pest Management Science0 citations

FM ‐3224: A potent triazolinone‐based fungicide with broad‐spectrum activity and computational support for putative dual‐target binding

FMFanqi Meng YLYuandong Liu XDXiaowen Du

Key Points

This research aims to design and evaluate new fungicides against Asian soybean rust.
Designed 1,2,4-oxadiazole derivatives bearing triazolinone fragments.
Analyzed target-binding characteristics through computational methods.
Conducted density functional theory calculations to assess electronic responsiveness.
FM-3224 shows strong potential as a broad-spectrum fungicide.
Demonstrated effective binding characteristics through docking studies.
DFT calculations indicate favorable electronic properties with a small HOMO-LUMO gap.

Abstract

BACKGROUND: Asian soybean rust (ASR), caused by Phakopsora pachyrhizi, remains difficult to control because resistance has reduced the effectiveness of several major fungicide classes. In this study, we designed 1,2,4-oxadiazole derivatives bearing tetrazolinone or triazolinone fragments through fragment recombination and then explored the putative target-binding characteristics of the lead compound by computational methods. RESULTS: and the Saccharomyces cerevisiae bc1 complex, and density functional theory (DFT) calculations indicated a relatively small HOMO-LUMO gap (0.16815 a.u.), suggesting comparatively favorable electronic responsiveness. CONCLUSION: FM-3224 is a promising broad-spectrum lead compound. The biological results establish its strong fungicidal potential, whereas the docking and DFT analyses provide computational support for further investigation of its putative dual-target binding mode. © 2026 Society of Chemical Industry.

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