Design, molecular docking study of synthesised N-heteroaryl substituted gallamide derivatives and their antibacterial assessment.

A series of N-heteroaryl substituted Gallamide derivatives 3a-3g were synthesised and the obtained structures were further confirmed by different spectral studies. For in-vitro antibacterial activity, the synthesised compounds were evaluated against three UTI (Urinary Tract Infection) bacterial strains including Staphylococcus aureus, Escherichia coli, and Streptococcus pyogenes. Furthermore, the designed compounds were docked with bacterial DNA gyrase and dihydropteroate synthase. All the compounds had shown good inhibition against S. aureus whereas compound 3e has produced significant inhibition at 28 and 26 mm against S.aureus and E.coli, respectively. The MIC value of the conjugate 3e and 3d was 3.12 and 6.25 µg/mL against S. aureus andE.coli, respectively. Compound 3,4,5-trihydroxy-N-(4-(N-(5-methyl isoxazol-3-yl) sulfamoyl) phenyl)benzamide 3d had shown the highest binding energy against both the targets along with good antibacterial action.