Synthesis, Characterization, Antimicrobial Evaluation, and Computational Investigation of Substituted Imidazo[2,1-b][1,3,4]Thiadiazole Derivatives

Dagli M., Er M., KARAKURT T., ONARAN A., ALICI H., Tahtaci H.

CHEMISTRYSELECT, vol.5, no.38, pp.11753-11763, 2020 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 5 Issue: 38
  • Publication Date: 2020
  • Doi Number: 10.1002/slct.202002821
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier
  • Page Numbers: pp.11753-11763
  • Keywords: Ab initio calculations, ADME, Biological activity, Imidazo[2, 1-b][1, 3, 4]thiadiazole, Mannich bases, BIOLOGICAL EVALUATION, MOLECULAR DOCKING, 1,3,4-THIADIAZOLE, SOLUBILITY, INHIBITORS, DISCOVERY, SEARCH
  • Akdeniz University Affiliated: Yes


In this study, a novel series of 2,6-disubstituted and 2,5,6-trisubstituted imidazo[2,1-b][1,3,4]thiadiazole derivatives were synthesized starting from 2-amino-1,3,4-thiadiazole derivatives. Structures of the synthesized compounds were characterized using various analysis techniques. Then, in vitro biological activity tests were carried out for all synthesized compounds and they were found to show moderate to good activity against all bacteria and fungi tested. Next, molecular docking simulations were performed to observe the inhibition effect of the synthesized compounds on the 3R9C receptor and support their biological activity results. Finally, the pharmacokinetic, ADME and toxicity properties of all compounds were examined using FAF-Drugs and ProTox webservers and it was concluded that they had acceptable toxicity and ADME properties.