Synthesis, antimicrobial activity and advances in structure-activity relationships (SARs) of novel tri-substituted thiazole derivatives

Eur J Med Chem. 2016 Nov 10:123:508-513. doi: 10.1016/j.ejmech.2016.07.062. Epub 2016 Jul 28.

Abstract

Trisubstituted thiazoles were synthesized and studied for their antimicrobial activity and supported by theoretical calculations. In addition, MIC, MBC and MFC were also tested. Moreover, the present study was analyzed to scrutinize comprehensive structure-activity relationships. In fact, LUMO orbital energy and orbital orientation was reliable to explain their antibacterial and antifungal assay. Amongst the tested compounds, tri-methyl-substituted thiazole compound showed higher antimicrobial activity and low MIC value due to highest LUMO energy.

Keywords: Antimicrobial; MBC/MFC; MIC; Simulation studies; Thiazoles.

MeSH terms

  • Anti-Bacterial Agents / chemical synthesis*
  • Anti-Bacterial Agents / chemistry
  • Anti-Bacterial Agents / pharmacology*
  • Antifungal Agents / chemical synthesis*
  • Antifungal Agents / chemistry
  • Antifungal Agents / pharmacology*
  • Aspergillus flavus / drug effects
  • Aspergillus niger / drug effects
  • Bacteria / drug effects
  • Chemistry Techniques, Synthetic
  • Drug Design*
  • Models, Molecular
  • Molecular Conformation
  • Static Electricity
  • Structure-Activity Relationship
  • Thiazoles / chemical synthesis*
  • Thiazoles / chemistry
  • Thiazoles / pharmacology*

Substances

  • Anti-Bacterial Agents
  • Antifungal Agents
  • Thiazoles