Synthesis, molecular docking and antimicrobial activity of new fused pyrimidine and pyridine derivatives

Abstract

Synthesis of some new heterocyclic ring systems incorporated pyrimidine and pyridine moieties starting from 1-(furan-2-yl)-3-(thiophen-2-yl) chalcone was achieved. The structure of the new compounds was interpreted by spectral studies and ESI-MS analysis. Antimicrobial investigations of the designated compounds were performed towards some harmful pathogenic microbes. Antimicrobial tests proved that compound 11 unveiled a greater antimicrobial activity than other designed compounds. Docking of compound 11 into active site of DNA gyrase B chain displayed binding-energy of −13.05 kJ mol−1 and distance at 3.18 Ao. Furthermore, docking investigation was approved for the goal compounds into DNA gyrase B chain and exhibiting binding energy extended from −13.05 to −20.48 kJ mol−1.