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    Synthesis, Fungicidal Activity and Molecular Docking Studies of Tavaborole derivatives
    何卓 张明智* 黄代钏 张沛

    分会

    第五十七分会:农业化学

    摘要

    Benzoxaborole, a unique five-membered oxaborole ring fused with a phenyl ring, has demonstrated excel-lent pharmacological activity. To explore the potential applications of these boron-containing heterocycles in agriculture, five-membered and six-membered benzoxaborole derivatives were designed, synthesized and evaluated for their fungicidal activity against six common plant pathogenic fungi in vitro. The bioassay re-sults revealed that most of the target compounds exhibited more significant fungicidal activity under the concentration of 50 μg/mL, and especially the highlighted compounds 4b and 4e exerted the impressive fungicidal activity which is obviously better than positive controls. Molecular docking was also performed to ascertain the practical value of the active compound as a potential inhibitor of Leucyl-tRNA Synthetase (LeuRS). The present study indicates that the designed benzoxaborole derivatives could be further applied as template molecules for the discovery of novel fungicide.

    关键词

    Benzoxaborole; LeuRS; Synthesis; Fungicidal Activity; Molecular docking.

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