New thiadiazole derivatives with antituberculosis activity

Despite to the existence of many antibiotics for the treatment of tuberculosis, the main obstacle on the way of complete liquidation of Mycobacterium tuberculosis is the acquiring of resistance for current drugs by bacteria. The search for new compounds exhibiting antituberculous activity is an important task of modern pharmacology. Molecular docking was used for the evaluation of antituberculous activity of forty thiadiazole derivatives and their interactions with the target protein CmaA1 (cyclopropanemycolic acid synthase 1). Finding out the results indicated that twenty four thiadiazole derivatives can have antituberculosis activity. Their molecular docking values were ranged from -7.4 to -9.4 kcal/mol, while the docking value of positive control (thioacetazone) was -7.3 kcal/mol. The molecules, namely 6-(4-bromophenyl)-N-cyclohexyl-imidazo[2,1-b][1,3,4]thiadiazole and 2-((6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl)thio)-5-phenyl-1,3,4-oxodiazole have shown pronounced antituberculosis activity with values of -9.3 kcal/mol and -9.4 kcal/mol, respectively. These two molecules may be viable candidates for the development of the antituberculosis drugs.