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Author

Li-Jun Chen

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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
Jul 2026

Shielding Metabolic Hotspots in the Triketone-Quinoline Scaffold Yields Potent 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors.

4-Hydroxyphenylpyruvate dioxygenase (HPPD; EC 1.13.11.27) is an important target for modern herbicide discovery. To translate HPPD inhibitors into effective herbicide candidates, we developed a metabolism-oriented design strategy to improve the in vivo efficacy of triketone-quinoline HPPD inhibitors. By shielding the m...

Min Li, Han Xiao, Si-Mei Zhou et al. · 0 citations

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