Design, Synthesis, and Bioactivity Evaluation of Novel Indene Amino Acid Derivatives as Succinate Dehydrogenase Inhibitors

Summary

This paper describes the rational design and synthesis of novel indene amino acid derivatives targeting succinate dehydrogenase, an enzymatic pathway central to fungicide action. Through complementary computational modelling (DFT and molecular electrostatic potential analysis), the authors characterise binding mechanisms and establish the indene amino acid scaffold as a promising lead structure for next-generation SDHI fungicide development. The work contributes to rational drug design for agricultural fungicides with improved efficacy or selectivity profiles.

UK applicability

The findings are relevant to UK crop protection strategies, particularly for fungal disease management in cereals and horticulture, though practical field efficacy and regulatory approval would require subsequent development and testing. The molecular insights may inform domestic or European fungicide discovery programmes subject to evolving pesticide regulatory frameworks.

Key measures

Binding mode analysis; molecular electrostatic potential; DFT calculations; bioactivity comparison with fluxapyroxad

Outcomes reported

The study evaluated the bioactivity of novel indene amino acid derivatives as succinate dehydrogenase inhibitors (SDHIs), comparing binding efficacy against fluxapyroxad using computational and chemical analyses. Molecular electrostatic potential analysis and density functional theory calculations were employed to elucidate proposed binding modes.

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