TB Research

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