Synthesis, Antitubercular and Antimicrobial Activity of 1,2,4-Triazolidine-3-thione Functionalized Coumarin and Phenyl Derivatives and Molecular Docking Studies

Tuberculosis (TB) is still a demanding worldwide health problem and mycobacterium tuberculosis (MTB) remains one of the most toxic human pathogens. In pursuit of searching new antitubercular and antimicrobial agents, substituted coumarin and phenyl-1,2,4-triazolidine-3-thiones 4a-i and 5a-e have been synthesized and evaluated for their antitubercular and antimicrobial activities. Most of the Substituted coumarin and phenyl-1,2,4-triazolidine-3-thiones showed promising activity against Mycobacterium tuberculosis (H(37)Rv). The title compounds have exhibited excellent in vitro antibacterial activity against the S.aureus, Bacillus sps and E.coli with the values of low MIC ranging from of 0.4 to 1.6 mu g/mL. In vitro antifungal activity shown that the compounds 4a-i and 5a-e are excellent antifungal agents against Candida albicans, Aspergillus flavus, Aspergillus niger and Aspergillus fumigate fungal stains with the values of low minimum inhibitory concentrations (MIC) ranging from 0.4 to 6.25 mu g/mL. Molecular docking study was performed for all the synthesized compounds with E.coli as antibacterial and Mycobacterium tuberculosis DprE1 as antituberculosis.