新型甲基（R）-N-苯甲酰基/二氯乙酰基-噻唑烷-4-羧酸酯的设计、合成与保护剂活性。

College of Science, Northeast Agricultural University, Harbin 150030, China.

Molecules. 2018 Jan 12;23(1):155. doi: 10.3390/molecules23010155.

A series of novel methyl ()--benzoyl/dichloroacetyl-thiazolidine-4-carboxylates were designed by active substructure combination. The title compounds were synthesized using a one-pot route from l-cysteine methyl ester hydrochloride, acyl chloride, and ketones. All compounds were characterized by IR, ¹H NMR, C NMR, and HRMS. The structure of was determined by X-ray crystallography. The biological tests showed that the title compounds protected maize from chlorimuron-ethyl injury to some extent. The ALS activity assay showed that the title compounds increased the ALS activity of maize inhibited by chlorimuron-ethyl. Molecular docking modeling demonstrated that Compound competed against chlorimuron-ethyl to combine with the herbicide target enzyme active site, causing the herbicide to be ineffective.

通过活性亚结构组合，设计了一系列新型的甲基（）-苯甲酰基/二氯乙酰基-噻唑烷-4-羧酸酯。标题化合物是通过 l-半胱氨酸甲酯盐酸盐、酰氯和酮一锅法合成的。所有化合物均通过 IR、1H NMR、C NMR 和 HRMS 进行了表征。通过 X 射线晶体学确定了的结构。生物测试表明，标题化合物在一定程度上保护了玉米免受氯嘧磺隆乙酯的伤害。ALS 活性测定表明，标题化合物增加了被氯嘧磺隆乙酯抑制的玉米的 ALS 活性。分子对接建模表明，化合物 1 与氯嘧磺隆乙酯竞争结合除草剂靶酶的活性位点，使除草剂失效。