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Anthelminthic Agents

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Linear Peptidomimetics Containing Isoxazoline Scaffold: Design, Synthesis, Bioevaluation as Efficient Insecticidal

Junkun Ren^1,2, Zhigang Zhang¹, Liqiao Shi¹

¹Key Lab of Microbial Pesticides (Ministry of Agriculture and Rural Affairs), National Biopesticide Engineering Research Centre, Hubei Centre of Technology Innovation for Biopesticide, Hubei Biopesticide Engineering Research Centre, Hubei Academy of Agricultural Sciences, Wuhan 430064, China.

Journal of Agricultural and Food Chemistry

|May 9, 2026

Summary

This summary is machine-generated.

Novel peptidomimetics with arylisoxazoline heterocycles show potent insecticidal activity against lepidopteran pests. Compound JK-10 demonstrates exceptional efficacy, suggesting potential as new γ-aminobutyric acid (GABA) receptor inhibitors for pest management.

Keywords:

DFT calculations insecticidal activity isoxazoline scaffold linear peptidomimetics molecular docking multicomponent reaction

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Area of Science:

Organic Chemistry
Medicinal Chemistry
Agricultural Science

Background:

Peptidomimetics offer diverse structural possibilities for bioactive molecule development.
Lepidopteran pests pose significant threats to global agriculture, necessitating novel control strategies.
Existing insecticides face challenges due to resistance and environmental concerns.

Purpose of the Study:

To design and synthesize novel polysubstituted linear peptidomimetics incorporating arylisoxazoline heterocycles.
To evaluate the insecticidal activity of these novel compounds against key lepidopteran pests.
To investigate the potential mechanism of action, specifically targeting the γ-aminobutyric acid (GABA) receptor.

Main Methods:

A four-component, one-pot synthesis utilizing green chemistry principles.
Structural elucidation using spectroscopic techniques (¹H NMR, ¹³C NMR, ESI-MS).
Bioassays against *Plutella xylostella* and *Helicoverpa armigera* larvae, comparing with standard insecticides.
Computational studies including Density Functional Theory (DFT) and molecular docking.

Main Results:

Successful synthesis of structurally novel peptidomimetics.
Most compounds displayed significant insecticidal activity against tested lepidopteran pests at 100 μg/mL.
Compound JK-10 exhibited excellent efficacy, achieving 100% larval mortality at 0.195 μg/mL, outperforming Chlorantraniliprole.
DFT and docking studies indicated strong binding affinity to the GABA receptor.

Conclusions:

The synthesized arylisoxazoline-hybridized peptidomimetics represent a promising new class of insecticides.
Compound JK-10 is a potent lead candidate for developing novel GABA receptor inhibitors.
These findings support the potential of these compounds for integrated pest management strategies in agriculture.