Microwave-assisted solution phase synthesis of novel pyridine carboxamides in neat water and ADMET and protein-compounds interaction analysis and antibacterial activity

Abstract

A range of novel 5-substituted-pyridine-2-carboxamides have been designed and synthesized by microwave-assisted solution phase synthesis in neat water. Their structures have been confirmed by 1H NMR, 13C NMR and LCMS analysis. The present work describes a simple, rapid, and efficient synthesis of compound 2a-2h in good yield under mild reaction condition. Shorter reaction time and convenient workup make this methodology more practical. This protocol proceeds smoothly and avoids the use of toxic organic solvents. ADMET analysis have been performed for all the synthesized compounds and observed that all the eight compounds taken for the investigation have been shown to satisfy Lipinski's rule of 5. The molecular interaction study is performed using the AutoDock software. All the 8 test compounds are found to have higher binding affinity than the control compound chloramphenicol to the E. Coli DraE adhesion. In addition antibacterial activities of all eight compounds have been determined.