Novel series of 1,2,3-triazolyl-acetamide scaffolds: Synthesis, biological activity and computational molecular modeling
作者:Murali Mohan Gampa、Narayana Reddy Pedavenkatagari、Pannala Padmaja
DOI:10.1016/j.molstruc.2022.133068
日期:2022.9
A novel series of 1,2,3-triazolyl-acetamide derivatives 9 were synthesizsed starting from N-(2,4-difluoro-3-(methylthio)phenyl)but-3-ynamide and 2-azido-N-phenylacetamide. Structures of final compounds were confirmed by their 1H NMR, 13C NMR, IR, and mass spectral analysis. All new synthesised compounds were evaluated for their antibacterial activity against Gram (+ve) and Gram (–ve) microorganisms
以N- (2,4-二氟-3-(甲硫基)苯基)丁-3-炔酰胺和2-叠氮基-N-苯基乙酰胺为原料合成了一系列新的1,2,3-三唑基-乙酰胺衍生物9。最终化合物的结构通过它们的1 H NMR、13 C NMR、IR和质谱分析来确认。评估了所有新合成的化合物对革兰氏 (+ve) 和革兰氏 (-ve) 微生物的抗菌活性。化合物9h、9c、9d和9i(MICs = 4.0、3.8、3.2、6.7 µg/mL)的抗菌活性是对肺炎克雷伯菌、金黄色葡萄球菌、肺炎链球菌、大肠杆菌最有效的抑制活性分别是微生物。我们探讨了金黄色葡萄球菌与双膦酸盐 BPH-700 (2ZCS) 蛋白复合的类胡萝卜素脱氢角鲨烯合酶中可能的关键活性位点和结合模式相互作用,配体9i具有最高的氢键氨基酸相互作用 Ser21(2.86 Å, 3.16 Å)、Lys17( 2.91 Å)、Lys20(2.76 Å)、Lys17(2.13 Å)、Ser21(1