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

• Published in: MedChemComm 2016-01, Vol.7 (7), p.145-142
• Main Authors: Mogle, Pratima P, Meshram, Rohan J, Hese, Shrikant V, Kamble, Rahul D, Kamble, Sonali S, Gacche, Rajesh N, Dawane, Bhaskar S
• Format: Article
• Language: English
• Subjects: Mycobacterium tuberculosis
• ISSN: 2040-2503; 2040-2511
• DOI: 10.1039/c6md00085a

Various substituted 2-(2-(5-(3/4-substituted phenyl)-4-hydroxy-3′-(3/4-substituted phenyl)-1′-phenyl-1 H ,1′ H -[3,4′-bipyrazol]-1-yl)thiazol-4(5 H )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 μg mL −1 ), 6p (MIC-3.90 μg mL −1 ), and 6q (MIC-7.81 μg mL −1 ), exhibited significant activity against Mycobacterium tuberculosis . The molecular docking studies revealed an interesting binding profile with very high receptor affinity. Substituted 2-(2-(5-(3/4-substituted phenyl)-4-hydroxy-3′-(3/4-substituted phenyl)-1′-phenyl-1 H ,1′ H -[3,4′-bipyrazol]-1-yl)thiazol-4(5 H )ylidene) hydrazinecarbothioamide derivatives have been synthesized in good yields by an efficient method.