Tuberculosis (TB) remains one of the most widespread and leading deadliest diseases, threats one-third of the world's population. Although numerous efforts have been undertaken to develop new anti-TB agents, only a handful of compounds have entered human trials in the past 5 decades. Triazoles including 1,2,3-triazole and 1,2,4-triazole are one of the most important classes of nitrogen containing heterocycles that exhibited various biological activities. Based on the SAR study generated by molecular modelling analysis, one hundred and ten novel oxidoreductase inhibitor derivatives were successfully designed exhibiting moderate predicted activities in all three applied computational approaches. The binding mode of the 1,2,3-triazole and 1,2,4-triazole analogues was clarified by the flexible docking method and Hydrogen bonding interaction and hydrophobic interaction were found to be important for the 1,2,3-triazole and 1,2,4-triazole analogues binding on PDB. Twelve compounds have been selected for synthesis and characterized by FTIR, NMR (1H, Proton and 13C analysis) Mass spectral analysis and further oxidoreductase inhibitor (enoyl-reductase InhA) evaluation

1,2,3-triazole, oxidoreductase inhibitor , Docking, enoyl-reductase InhA.