Abstract

A novel series of imidazole appended quinoline derivatives (6a–j) have been synthesized using the one-pot three-component reaction that occurred between the starting materials of substituted 2-phenoxyquinolin-3-carbaldehydes (3a-j), benzil (4), and ammonium acetate (5) by taking equimolar ratio. The newly synthesized imidazole-appended quinolines were subjected to probable inhibition against the anti-diabetic drug target maltase enzyme. The efficacy was tested using in-silico molecular docking analysis and molecular dynamics simulation. The studies revealed that the test 6f ligand (3-(4,5-diphenyl-1H-imidazol-2-yl)-2-phenoxy quinoline) is a strong inhibitor of the target protein maltase when compared with the known inhibitor acarbose and sheds new light on the medicinal chemistry research for the application of the synthesized 6f ligand in the pharmaceutical industry.

摘要

采用取代的 2-苯氧基喹啉-3-甲醛 ( 3a - j )、苯偶酰 ( 4 ) 为原料，通过一锅三组分反应合成了一系列新型咪唑喹啉衍生物 ( 6a - j ) 、与乙酸铵( 5 )等摩尔比。新合成的带有咪唑的喹啉可能对抗糖尿病药物靶标麦芽糖酶有抑制作用。使用计算机分子对接分析和分子动力学模拟来测试功效。研究表明，测试6f配体（3-(4,5-二苯基-1H-咪唑-2-基)-2-苯氧基喹啉与已知的抑制剂阿卡波糖相比，它是一种强效的目标蛋白麦芽糖酶抑制剂，为合成的6f配体在制药工业中的应用的药物化学研究提供了新的思路。