Hybrid derivatives have advantage over the other compounds, because they exhibit the enhanced bioactivity. In this chapter benzothiazole conjugated pyrazole hybrid compounds are taken the study. Pyrazole and benzothiazole scaffolds have their own advantage in the field of medicinal chemistry. In the present study, two series of the pyrazole conjugated benzothiazole derivatives were synthesized by Vilsmeier- Haack reaction, followed by the Schiff’s base formation. The newly synthesized compounds were screened for the in-vitro and in-silico anti-TB activities. They show moderate antibacterial and antioxidant activities. Compounds containing OH, CH3 and Cl groups exhibit the superior antibacterial activity in the series. Majority of the compounds exhibit the excellent in-vitro anti-TB activity, showing the MIC values up to 1.6 μg/mL. Some compounds were show the superior activity compared to the standard (INH and Cfx) and molecular docking studies were also carried out to know the molecular interaction with InhA protein.
Keywords: Acetophenone, Benzothiazole, Conjugation, Cyclization, Docking score, DprE1, Hybrid molecule, Imine, InhA, In-silico, In-vitro, Isoniazid, Molecular Docking, Phenyl hydrazine, Pyrazofurin, Pyrazole, Schiff’s Base, Tuberculosis, Tyrosine, Vilsmeier-Haack.