Synthesis and molecular docking studies of a new series of bipyrazol-yl-thiazol-ylidene-hydrazinecarbothioamide derivatives as potential antitubercular agents

Various substituted 2-(2-(5-(3/4-substituted phenyl)-4-hydroxy-3'-(3/4-substituted phenyl)-1'-phenyl-1H,1'H-[3,4'-bipyrazol]-1-yl)thiazol-4(5H)ylidene) hydrazinecarbothioamide derivatives have been synthesized in good yields by an efficient method. The synthesized compounds (6a-r) were evaluated for their in vitro antitubercular activity against the Mycobacterium tuberculosis (MTCC 300) strain. Compounds 6o (MIC-3.90 mu g mL(-1)), 6p (MIC-3.90 mu g mL(-1)), and 6q (MIC-7.81 mu g mL(-1)), exhibited significant activity against Mycobacterium tuberculosis. The molecular docking studies revealed an interesting binding profile with very high receptor affinity.