Efficient Green Synthesis and Biological Evaluation of Thiadiazole Derivatives

Abstract

Thiadiazole and its derivatives have been studied extensively because of their wide range of biological activity. Diverse biological activities, such as antibacterial, anti-inflammatory, and antiviral, have been associated with thiadiazole derivatives. These derivatives were explored by the in-silico method by using the docking model. Given research work aimed at improving thiadiazole yield and quality by using a green chemistry approach, and the synthesized compounds were screened for antibacterial activities. In the present work, some new thiadiazole ring containing compounds were synthesized, but the synthesis was carried out using green chemistry methods like microwave and ultrasonication techniques. Compounds were screened by spectral analysis, and further antimicrobial evaluation was also done. These derivatives were explored by the in-silico method by using the docking model. All the screened derivatives exhibited good results, especially the 3C compound, which showed the lowest binding energy with the receptor (-7.449 Kcal/mol). Research using the green chemistry approach gives the successful synthesis of thiadiazole derivatives with good yield in between 75- 90%. As compared to conventional synthesis methods, these methods require less time; the newly synthesized compounds also reflect moderate to promising antimicrobial activity against E.coli and P.aureginosa. All the selected derivatives were docked with the selected PDB code's active site and assessed for binding free energy and their interaction with the receptor. 3e compound showed maximum binding free energy -7.449 Kcal/mol.