论文部分内容阅读
以自制的5-取代芳基-4-氨基-3-巯基-1,2,4三唑为底物,经糖基修饰后,在甲醇钠/甲醇/二氯甲烷体系中经水解脱除糖环上的乙酰基,得到9个新化合物5-取代苯基-4-氨基-3-S-(β-D-吡喃葡萄糖基)-1,2,4-三唑(6a~6i),其结构经核磁共振波谱(1H NMR,13C NMR),红外光谱(IR)和高分辨质谱(HRMS)确认.生物活性测试结果表明,目标化合物对大肠杆菌、金黄色葡萄球菌、枯草芽孢杆菌和白色念珠菌均显示出良好的抑菌活性.化合物6g对大肠杆菌、金黄色葡萄球菌、枯草芽孢杆菌和白色念珠菌的最小抑菌浓度分别达到2,8,32和8μg/m L,抑菌效果接近或优于对照药物三氯生和氟康唑.利用Autodock程序研究了目标化合物(6a~6i)与大肠杆菌烯脂酰还原酶(FabⅠ)受体蛋白分子的相互作用和结合自由能变化规律.
The 5-substituted aryl-4-amino-3-mercapto-1,2,4-triazole as a substrate, after glycosylation modification, was removed by hydrolysis in sodium methoxide / methanol / dichloromethane system Ring to give 9 new compounds, 5-substituted phenyl-4-amino-3-S- (β-D-glucopyranosyl) -1,2,4-triazole (6a ~ 6i) Its structure was confirmed by 1H NMR, 13C NMR, IR and HRMS. The bioassay results showed that the target compounds showed good activity against Escherichia coli, Staphylococcus aureus, Bacillus subtilis and white Candida albicans showed good antibacterial activity.The minimum inhibitory concentrations of 6g against Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Candida albicans reached 2, 8, 32 and 8μg / m L, respectively. The antibacterial activity Close to or better than the control drugs triclosan and fluconazole Autodock program was used to study the interaction between the target compound (6a ~ 6i) and E. coli enoyl acyl reductase (Fab Ⅰ) receptor protein molecules and the binding energy of free energy .