Design, synthesis and systemic acquired resistance of 2-benzothiadiazolylquinoline-4-carboxamides by COI1 based virtual screening

Liu, Xiaoyu; Yang, Hongwei; Sun, Yaru; Huang, Yuting; Hong, Shuang; Yuan, Haolin; Gao, Wei; Tang, Liangfu; Fan, Zhijin

doi:10.1007/s11030-024-10849-1

Cited by 1 publication

(1 citation statement)

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“…Target based molecular design is an effective measure for pesticide development and new chemical scaffolds discovery. Previously, our group discovered a highly active fungicidal molecular lead YZK-C22 targeting pyruvate kinase and a plant elicitor lead 4e targeting COI1. − Subsequently, several series of novel scaffolds such as psoralen, triazolothiadiazine, isothiazole-purine and quinoline amide were discovered based on a computer-aided pesticide molecular design for their activity evaluation and mode of action validation. − …”

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confidence: 99%

Discovery of Novel Spiropiperidinyl-α-methylene-γ-butyrolactones as Antifungal and Antitoxin Agents Targeting Oxysterol Binding Protein

Yuan,

Yang,

Gao

et al. 2024

J. Agric. Food Chem.

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Corn ear rot and fumonisin caused by Fusarium verticillioides pose a serious threat to food security. To find more highly active fungicidal and antitoxic candidates with structure diversity based on naturally occurring lead xanthatin, a series of novel spiropiperidinyl-α-methylene-γ-butyrolactones were rationally designed and synthesized. The in vitro bioassay results indicated that compound 7c showed broad-spectrum in vitro activity with EC 50 values falling from 3.51 to 24.10 μg/mL against Rhizoctonia solani and Alternaria solani, which was more active than the positive controls xanthatin and oxathiapiprolin. In addition, compound 7c also showed good antitoxic efficacy against fumonisin with a 48% inhibition rate even at a concentration of 20 μg/mL. Fluorescence quenching and the molecular docking validated both 7c and oxathiapiprolin targeting at FvoshC. RNA sequencing analysis discovered that FUM gene cluster and protein processing in endoplasmic reticulum were downregulated. Our studies have discovered spiropiperidinyl-α-methylene-γ-butyrolactone as a novel FvoshC target-based scaffold for fungicide lead with antitoxin activity.

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