College of Chemistry and Chemical Engineering, Hunan University, Changsha, 410082, China.
Mol Divers. 2024 Jun;28(3):1129-1140. doi: 10.1007/s11030-023-10639-1. Epub 2023 Mar 23.
A series of 4-methyl-5-(3-phenylacryloyl)thiazoles based on chalcones were designed, synthesized and evaluated for their influenza neuraminidase (NA) inhibitory activity in vitro. A preliminary structure-activity relationship (SAR) analysis showed that thiazoles bearing amide had greater potency. It also showed that mono-hydroxyl group at 4-position on phenyl ring was more effective than other electron-releasing groups or electron-withdraw groups. Compounds A2 and A26 were more potent against NA with IC values of 8.2 ± 0.5 μg/mL and 6.2 ± 1.4 μg/mL, respectively. Molecular docking study demonstrated that thiazoles skeleton was benefit for the NA inhibitory activity.
基于查耳酮的一系列 4-甲基-5-(3-苯基丙烯酰基)噻唑被设计、合成并评估了它们在体外对流感神经氨酸酶 (NA) 的抑制活性。初步的构效关系 (SAR) 分析表明，酰胺取代的噻唑具有更强的活性。它还表明，苯环上 4-位的单羟基比其他供电子基团或吸电子基团更有效。化合物 A2 和 A26 对 NA 的抑制活性更强，IC 值分别为 8.2±0.5μg/mL 和 6.2±1.4μg/mL。分子对接研究表明，噻唑骨架有利于 NA 的抑制活性。
