Thiophene and benzodioxole appended thiazolyl-pyrazoline compounds: Microwave assisted synthesis, antimicrobial and molecular docking studies

Bioorg Med Chem Lett. 2015 Jul 15;25(14):2753-7. doi: 10.1016/j.bmcl.2015.05.033. Epub 2015 May 22.

Abstract

A novel series of thiophene and benzodioxole appended thiazolyl-pyrazoline derivatives have been designed, synthesized and evaluated against different bacteria and fungi. The antimicrobial activity of the synthesized compounds were screened using MIC method and were proved synthesized compounds 7o, 7r and 7t to show good antimicrobial activity against bacteria and fungi. In silico molecular docking studies revealed that all the synthesized molecules showed good binding energy toward the target receptor DNA topoisomerase IV, ranging from -10.42 to -11.66 kcal/mol.

Keywords: Antimicrobial; Molecular docking; Pyrazoline; Thiazole.

MeSH terms

  • Anti-Infective Agents / chemical synthesis*
  • Anti-Infective Agents / chemistry
  • Anti-Infective Agents / pharmacology*
  • Benzodioxoles / chemistry
  • Binding Sites
  • DNA Topoisomerase IV / antagonists & inhibitors
  • DNA Topoisomerase IV / metabolism
  • Fungi / drug effects
  • Gram-Negative Bacteria / drug effects*
  • Gram-Positive Bacteria / drug effects*
  • Microbial Sensitivity Tests
  • Microwaves*
  • Molecular Docking Simulation
  • Protein Binding
  • Pyrazoles / chemistry*
  • Structure-Activity Relationship
  • Thermodynamics
  • Thiazoles / chemistry*
  • Thiophenes / chemistry

Substances

  • Anti-Infective Agents
  • Benzodioxoles
  • Pyrazoles
  • Thiazoles
  • Thiophenes
  • DNA Topoisomerase IV