Structure-guided discovery of 1,3,5-triazine-pyrazole conjugates as antibacterial and antibiofilm agent against pathogens causing human diseases with favorable metabolic fate

Bioorg Med Chem Lett. 2014 Aug 1;24(15):3321-5. doi: 10.1016/j.bmcl.2014.05.103. Epub 2014 Jun 11.

Abstract

Impressed by the exceptional antibacterial activity exhibited by our earlier designed molecules originating from 1,3,5-triazine, the present study was undertaken to synthesize a novel series of 1,3,5-triazine-pyrazole conjugates to bring diversity around the core skeleton. The target analogues showed potent antibacterial activity against tested Gram-positive and Gram-negative microorganisms. The toxicity and metabolic site prediction studies were also held out to set an effective lead candidate for the future antibacterial drug discovery initiatives.

Keywords: 1,3,5-Triazine; Antibacterial; In silico studies; Pyrazole.

MeSH terms

  • Anti-Bacterial Agents / chemistry
  • Anti-Bacterial Agents / metabolism*
  • Anti-Bacterial Agents / pharmacology*
  • Biofilms / drug effects*
  • Dose-Response Relationship, Drug
  • Drug Discovery*
  • Gram-Negative Bacteria / drug effects*
  • Gram-Positive Bacteria / drug effects*
  • Humans
  • Microbial Sensitivity Tests
  • Molecular Structure
  • Pyrazoles / chemistry
  • Pyrazoles / metabolism*
  • Pyrazoles / pharmacology*
  • Structure-Activity Relationship
  • Triazines / chemistry
  • Triazines / metabolism*
  • Triazines / pharmacology*

Substances

  • Anti-Bacterial Agents
  • Pyrazoles
  • Triazines