Synthesis and Molecular Docking Study of Arylsulfanyl Pyrazolylpyrazoline Derivatives as Antitubercular Agents
Mayursinh Zala, J. J. Vora, Vijay M. Khedkar
Russian Journal of Organic Chemistry · 2021-12
Abstract
New arylsulfanyl pyrazolylpyrazoline derivatives were synthesized via a facile protocol, and their structure was confirmed by FT-IR, 1H and 13C NMR, and mass spectra. Some of the synthesized compounds exhibited remarkable in vitro antitubercular activity. Molecular docking study provided well-clustered solutions to the mode of binding and affinity of these molecules to the active site of MTB enoyl–acyl carrier protein reductase (InhA).
MeSH terms
- INHA
- Chemistry
- Docking (animal)
- In vitro
- Stereochemistry
- Molecule
- Combinatorial chemistry
- Carbon-13 NMR
- Reductase
- Proton NMR