Computational Studies of N-1 Substituted Quinolone Derivatives as Potent Inhibitors of Gyr B subunit of Escherichia coli K-12

Abstract

It has been confirmed that 4-Quinolone derivatives associated with p- toluene sulphonamide group at 3 position are having bactericidal activity10. We have synthesized various derivatives of 1,4-dihydro-4-oxo-3-[1-oxo-2-hydrazino-3-{p-toluenenesulfon}] quinolines. These compounds were synthesized by the reaction of substituted quinolone carbohydrazide derivatives 1a,b with p-toluene sulphonyl chloride in the presence of pyridine base. The compound was purified and characterized by IR, NMR (H1 and C13) and HRMS studies. Here we have conducted molecular docking of compounds 2a and 2b to explore their binding interactions on the active site of the target protein (PDB code : 6YD9).