Synthesis, Molecular Docking, and Antitubercular Evaluation of Triazole–Chalcone Conjugates

The condensation of propargylated vanillin with differently substituted acetophenones produced the corresponding chalcones which were reacted with substituted benzyl azides using the click chemistry technique to afford triazole–chalcone hybrids in 34–93% yields. The synthesized hybrid compounds were evaluated for their antitubercular activity, and the results showed synergistic effect of the triazole and chalcone pharmaco­phores combined in a single molecule. The most potent compounds were characterized by a MIC value of 1.6 μg/mL. Molecular docking studies of the most active compounds against the mycobacterial protein PDB 4Y6U were performed.