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Novel Bischalcones and their Heterocyclic Derivatives as Strong Inhibitors of the MurE Enzyme: Synthesis, Biological Assessment and Molecular Docking Studies
Corresponding Author(s) : G. Buela Priyanka
Asian Journal of Chemistry,
Vol. 37 No. 11 (2025): Vol 37 Issue 11, 2025
Abstract
A series of novel 2,6-bis((E)-benzylidene)-4-methylcyclohexan-1-one derivatives were synthesized at room temperature over 18-48 h by reacting aromatic and heterocyclic aldehydes with alkyl-substituted cyclic ketones, using alcohol as solvent and a base as catalyst. The successful formation of these novel heterocycle-containing bischalcones was confirmed through spectral characterization techniques. The Alamar Blue Assay (MABA) method was used to perform the biological evaluation for antitubercular activity and the compounds showed promise as powerful and innovative inhibitors for the development of new antitubercular therapies. Furthermore, compounds 3a, 3b, 3c, 3g, 3i, 3k and 3l exhibit high binding energies with the target protein Mur E enzyme of the Mur pathway, molecular docking verified the uncompetitive inhibition of M. tuberculosis Mur E enzyme.
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- https://www.who.int/teams/global-programme-on-tuberculosis-and-lung-health/tb-reports/global-tuberculosis-report-2024
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