Microwave assistant one pot synthesis, crystal structure, antifungal activities and 3D-QSAR of novel 1,2,4-triazolo[4,3-a]pyridines

Chem Biol Drug Des. 2014 Sep;84(3):342-7. doi: 10.1111/cbdd.12323. Epub 2014 May 14.

Abstract

A series of novel 1,2,4-triazolo[4,3-a]pyridines were synthesized, and their structures were characterized by (1) H NMR, MS, elemental analysis, and single-crystal X-ray diffraction analysis. The antifungal activities were evaluated. The antifungal activity results indicated that the compound 2b, 2g, 2p, and 2i exhibited good activities. The activity of compound 2b, 2g, 2p, and 2i can compare with the commercial pesticide. The 3D-QSAR model was developed using CoMFA method. Both the steric and electronic field distributions of CoMFA are in good agreement in this work and will be very helpful in designing a new set of analogues.

Keywords: 1,2,4-triazolo[4,3-a]pyridine; 3D-QSAR; Microwave assistant synthesis; antifungal activities.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Antifungal Agents / chemical synthesis*
  • Antifungal Agents / pharmacology
  • Aspergillus fumigatus / drug effects
  • Candida albicans / drug effects
  • Crystallography, X-Ray
  • Fusarium / drug effects
  • Microwaves*
  • Molecular Conformation
  • Pyridines / chemical synthesis
  • Pyridines / chemistry*
  • Pyridines / pharmacology
  • Quantitative Structure-Activity Relationship*
  • Triazoles / chemistry*

Substances

  • Antifungal Agents
  • Pyridines
  • Triazoles
  • 1,2,4-triazole