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Ying Bian

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Jul 2026

Design, Synthesis, and Herbicidal Activity of Novel Diketonitrile Derivatives as HPPD Inhibitors.

4-Hydroxyphenylpyruvate dioxygenase (HPPD) is an attractive target for the development of bleaching herbicides. To develop novel HPPD inhibitors, 40 diketonitrile derivatives were designed by active-fragment splicing, synthesized, and characterized. In vitro inhibitory assays against Echinochloa crus-galli HPPD (EcHPPD) showed that compound III-2 exhibited the strongest activity, with a half-maximal inhibitory concentration (IC50) of 0.132 μM, outperforming mesotrione (0.277 μM). Preliminary bioassays demonstrated that compound III-2 had excellent herbicidal activity against E. crus-galli and Arabidopsis thaliana (AT) at a dose of 150 g a.i./ha. Crop safety evaluations revealed that compound III-2 was safer than the commercial herbicides mesotrione and isoxaflutole in sorghum and soybean. Molecular docking and molecular dynamics simulations revealed stable binding to HPPD, while electrostatic potential and density functional theory analyses demonstrated favorable electronic properties underlying its high activity. Compound III-2 represents a promising lead for developing novel HPPD-inhibiting diketonitrile herbicides.

Tengfei Ma, Siyi Yang, Ying Bian et al. · 0 citations
Jul 2026

Design, Synthesis, and Bioactivities of Novel 4-(Trifluoromethyl)nicotinamide Derivatives for Use as Insecticides.

Hemiptera pests damage crops and transmit viruses through piercing-sucking mouthparts, causing enormous economic losses and inducing resistance to insecticides. Novel insecticides are critical to combat rising resistance. Nicotinamidase, a newly validated target present in the insect chordotonal organ, has attracted attention. A series of novel sulfonyl, carbonyl, and amide group-based 4-(trifluoromethyl)nicotinamide derivatives was designed using the prodrug strategy and an intermediate derivatization method. Bioactivity assays indicated that most compounds possessed enhanced insecticidal activity. B-38 exhibited outstanding lethality against Sitobion avenae (LC50 = 0.710 mg/L), outperforming that of flonicamid (LC50 = 13.7 mg/L). The 3D-QSAR model revealed that the introduction of electron-withdrawing groups at the R3 position and electron-donating groups at the R4 positions, respectively, enhanced insecticidal potency. DFT calculations suggested that propargyl and imide groups may be essential for bioactivity. This study provides fundamental insights for developing green and efficient insecticides.

Ying Bian, Li-Xia Zhao, Tiansong Li et al. · 0 citations