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Guang-Fu Yang

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Sep 2026

Fragment-Based Design of Pesticide-Like Molecules: From Method Development to Agrochemical Discovery

Driven by rapid global population growth, an unprecedented demand for food has placed severe pressure on agricultural production. While synthetic pesticides have served as a cost-effective means of safeguarding crop yields, the effectiveness of many existing agents is increasingly undermined by rising pest resistance...

Xing-Xing Shi, Zhi-Zheng Wang, Ruo-Qi Yang et al. · 0 citations
Aug 2026

Structure-Based Discovery of Trifluoromethyl Oxadiazole Oxime Ethers as Potent Histone Deacetylase Inhibitors.

Histone deacetylases (HDACs), well-established epigenetic targets in medicinal chemistry, have recently attracted attention as potential targets for fungicides against phytopathogenic fungi. In this study, EX-3, a known trifluoromethyl oxadiazole (TFMO)-based HDAC inhibitor, was selected as a lead compound. Guided by i...

Shuyu Dong, Fang Qin, Zong-Wei Lu et al. · 0 citations
Sep 2026

Pocket-Oriented Design of Benzene-Fused Pyridinecarboxylates as Potent Synthetic Auxin Herbicides

Synthetic auxin herbicides (SAHs) with pyridinecarboxylate scaffolds are valued for their high efficacy and favorable safety, yet their limited structural diversity has constrained further development. In this study, we analyzed sequence variations in TIR1/AFBs among different species and employed a pocket-oriented m...

Wen-Yi Yang, Zi-Xiang Meng, Xiao-Ting Wang et al. · 0 citations
Open access Aug 2026

A computational framework integrating a protein language model with alchemical simulation for gain-of-function enzyme design.

The ESM-FEP framework establishes a generalizable and efficient strategy for the rational design of gain-of-function enzymes, with broad applications in biocatalysis, bioremediation, and precision agriculture.

Long-Can Mei, Jian Wu, Li-Jun Chen et al. · 0 citations
Open access Aug 2026

Molecular basis of Arabidopsis ABCC2 in plant detoxification

Cryo-electron microscopy structures of At ABCC2 provide new insights into the detoxi cation mechanism of At ABCC2 and highlight the potential for using ABCC transporters to develop herbicide-resistant crops.

Jiang-Qing Dong, Tai-Li Yang, Xin-He Yu et al. · 0 citations
Jul 2026

Overexpression of Cytochrome P450 CYP12A2 Contributes to Pyridalyl Resistance in Plutella xylostella.

Findings represent direct evidence of P450-mediated metabolic detoxification of pyridalyl, establishing CYP12A2 as a critical biomarker for field resistance monitoring and a promising target for integrated insecticide resistance management (IRM) strategies.

Fa-Long Wang, Chun-Yan Yin, Zhiyuan Qin et al. · 0 citations
Aug 2026

Discovery of Pyrazole-Benzimidazolin-2-One Derivatives as 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors.

4-Hydroxyphenylpyruvate dioxygenase (HPPD) has become an attractive target for herbicide development owing to the slow development and low risk of resistance to its inhibitors. However, most available HPPD inhibitors exhibit limited crop selectivity and poor efficacy against grasses. Therefore, the exploration of novel...

Biao Li, Rui-Ning Ying, Xian-Quan Wang et al. · 0 citations

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