Synthesis and studies for structure-based design of novel chalcones as antitubercular agents targeting .

The authors aimed to estimate the therapeutic potential of novel chalcones against tuberculosis. 11 synthesized compounds were tested for antimycobacterial activity against (H37RV; American Type Culture Collection number: 27294) using the microplate alamarBlue assay. Molecular docking and pharmacokinetic parameter analyses were then performed. The most potent compounds, (2E)-1-(4-bromophenyl) (2E)-1-(2-nitrophenyl) prop-2-en-1-one, -3-(2-nitrophenyl) prop-2-en-1-one (4-bromophenyl) (2E)-1-(3-phenoxyphenyl)prop-2-en-1-one, 3-(phenoxyphenyl)prop-2-en-1-one (4-bromophenyl) prop-2-en-1-one and (2E)-1-(4-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-prop-2-en-1-one, showed activity, with a minimum inhibitory concentration (MIC) of 6.25 μg/ml. Compounds LSD2, LSD12, LSD13 and LSD15 showed strong antimycobacterial activity at a concentration of 6.25 μg/ml.