Design, synthesis and antitubercular study of novel pyrazoline moiety as mycobacterium tuberculosis shikimate kinase inhibitor

A series of pyrazoline comprising coumarin moiety was docked against Mycobacterium tuberculosis shikimate kinase which is an essential target for novel anti tubercular drug design. When the designed pyrazoline containing coumarin derivatives were docked with the receptor (1U8A), the docking scores obtained were greater than the natural ligand and the standards of some derivatives. A number of substituted chalcones were synthesized from thiophene-2-carboxaldehyde by condensing with various substituted acetophenones in presence of sodium hydroxide as a base. Pyrazoline derivatives were prepared by the condensation of chalcones with coumarin carbohydrazide in the presence of ethanol as the catalyst. The structures of the final synthesized compounds were confirmed by spectral analysis. Analogue 3a showed profound antitubercular activity against the organism at lower concentration.