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

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. [ABSTRACT FROM AUTHOR]