高等学校化学学报Issue(3)：505-512,8.DOI:10.7503/cjcu20140907
新型1,2,4-三唑并[3,4-b]-1,3,4-噻二唑类化合物的合成、抗菌活性及与FabⅠ作用的分子模拟
Synthesis, Antibacterial Activity and Molecular Simulation with FabⅠ of a Series of Novel 1,2,4-Triazolo[3,4-b]-1,3,4-thiadiazoles
摘要
Abstract
Ten novel compounds of 3-alkyl/aryl-6-S-(2',3',4',6'-tetra-O-acetyl-β-D-glcopyranosyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles were designed and synthesized from 3-alkyl/aryl-4-amino-5-mercapto-1,2, 4-triazoles. The structures of all the compounds were confirmed by means of 1 H NMR, 13 C NMR, HRMS and IR. The preliminary bioassay showed that all target compounds possessed efficient antibacterial activities on Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Monilia albican. Especially, the compound 3c had strong antibacterial by the lowest minimal inhibitory concentration( MIC) values on the four tested strains which were close to those of the controlled drug fluconazole. The interaction and binding free energy of the tar-get compounds(3a—3j) with FabⅠ were studied by AutoDock 4. 0.关键词
糖苷/1,2,4-三唑并3,4-b-1,3,4-噻二唑/抗菌活性/FabⅠ受体蛋白Key words
Glucoside/1,2,4-Triazolo[3,4-b]-1,3,4-thiadiazole/Antibacterial/FabⅠ分类
化学化工引用本文复制引用
王美君,卢俊瑞,辛春伟,刘金彪,穆江蓓,张贺,张瑞波,杨旭云,王宏韫..新型1,2,4-三唑并[3,4-b]-1,3,4-噻二唑类化合物的合成、抗菌活性及与FabⅠ作用的分子模拟[J].高等学校化学学报,2015,(3):505-512,8.基金项目
国家自然科学基金(批准号:21176194,21476174)资助.Supported by the National Natural Science Foundation of China(Nos.21176194,21476174) （批准号:21176194,21476174）
