Abstract

We have developed a convenient one-pot multicomponent synthesis of highly functionalized [1,6]-naphthyridines under solvent free condition using [Et₃NH][HSO₄] in excellent yield. This protocol offers several advantages, including short reaction time, simple experimental workup procedure and no toxic byproducts, avoids the use of toxic organic solvents and anhydrous conditions. Further. we have screened the synthesized naphthyridines for in vitro antibacterial, antifungal and antioxidant activity. Furthermore, a molecular docking study of these compounds was carried out to investigate their binding pattern with the target, β-Ketoacyl-acyl carrier protein synthase III (FabH). Finally, the ADME parameters for these compounds showed good drug like properties and can be developed as oral drug candidates.

摘要

_{我们开发了一种在无溶剂条件下使用 [Et 3} NH][HSO ₄ ] 以优异收率在无溶剂条件下方便地一锅法合成高度官能化的 [1,6]-萘啶的方法。该协议具有几个优点，包括反应时间短、实验后处理程序简单、无有毒副产物、避免使用有毒有机溶剂和无水条件。更远。我们已经在体外筛选了合成的萘啶抗菌、抗真菌和抗氧化活性。此外，对这些化合物进行了分子对接研究，以研究它们与靶标 β-酮酰基-酰基载体蛋白合酶 III (FabH) 的结合模式。最后，这些化合物的 ADME 参数显示出良好的药物样特性，可以开发为口服候选药物。