摘要
以无水乙醇为溶剂合成了4个吡啶类烯胺化合物,该方法的反应条件温和、产率高,虽然同时生成Z/E两种构型的产物,但很易通过柱层析分离。用MTT法测定了所得烯胺对微生物的抑制活性,结果表明这些烯胺对细菌特别是对大肠杆菌(MIC50=1.56μg/mL)有较好的抑制活性,而对真菌则表现较弱抑制活性。利用AutoDock 4.0程序研究了标题化合物与大肠杆菌的β-酮酰-ACP缩合酶Ⅲ(FabH)的分子对接情况,(E)-2-(4-氯苯基)-3-(吡啶-2-氨基)丙烯酸乙酯较低的对接自由能与其具有较低的MIC50一致。
In absolute ethanol, four enamines were synthesized in high yields under mild reaction conditions. The products were given as a mixture of Z- and E-configurations, but they could be easily separated by silica gel column chromatography. The antimicrobial activities of the obtained enamines were subsequently determined by MTT method. The results indicate that these enamines show good inhibitory activity against bacteria, especially against E. coli （MICs0 = 1.56 μg/mL） ,and show mild inhibitory activity against fungi. Molecular docking of ethyl 2-aryl-3-（pyridin-2-ylamino） acrylate with β-ketoacyl-ACP synthase Ill （FabH） from E. coli was performed using AutoDock 4. 0. The free binding energy of ethyl （ E ） -2-（ 4-chlorophenyl ） -3-（ pyridin-2-ylamino ） acrylate with the lowest value among the obtained enamines is consistent with its highest inhibitory activity against E. coll.
出处
《化学试剂》
CAS
CSCD
北大核心
2011年第8期689-692,753,共5页
Chemical Reagents
基金
湖南省优秀青年项目(09B083)
湖南省教育厅科学研究项目(07C519)
吉首大学科研资助项目(jsdxkyzz200801)
