Synthesis, Molecular Docking, and Evaluation of Triazole and Chalcone Conjugate As Antitubercular Agent

Abstract The aim of this work was to be combine two pharmocophoric nuclei viz, triazole and chalcone and evaluate their antitubercular activity. Propargylated vanillin was condensed with differently substituted acetophenones to produce various chalcones (3a-c). Propargyl chalcones were then made to react with benzyl azides (2a-d) using the technique of Click chemistry and this reaction yielded triazole-chalcone hybrids (4a-l) in good yields, ranged from 34 to 93%. These hybrids were evaluated for their antitubercular activity, from the results it was found that triazole and chalcone on combination exhibited enhanced bioactivity thereby supported the theory of synergistic effect. The conjugate 4a and 4f were found to be most potent with MIC of 1.6 µg/ml. Molecular docking studies of bioactive compounds were in good congruence with in-vitro studies.