Design, Synthesis, Antitubercular and Antibacterial Activities of 1,3,5-Triazinyl Carboxamide Derivatives and In Silico Docking Studies

Abstract

A series of novel N-{2-fluoro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]phenyl} carboxamide derivatives has been synthesized, and their molecular structures are confirmed by 1H and 13C NMR, and mass spectra. Screening of the products for their antitubercular and antibacterial activities indicates the difluoro-4-chlorophenyl and 6-chloropyridine-3-yl derivatives as more potent agents than the reference drugs Pyrazinamide and Streptomycin. All compounds have been docked into MTB enoyl reductase (PDB code: 4U0J) to explore their binding interactions at the active sites.