In silico and BSA binding study of some new biological analogs of 1, 2, 4-triazole pendant with azinane through microwave and conventional synthesis

ABSTRACT

Microwave and conventional techniques were employed to synthesize a novel array of compounds 7a-g with 1, 2, 4-triazole and piperidine rings having great biological importance. The microwave assisted method has a better operational scope with respect to time and yield comparative to the conventional method. 1H-NMR, 13C-NMR and IR techniques were employed to justify the structure of synthesized compounds. The antioxidant, butyrylcholinesterase inhibition and urease inhibition potential of every synthesized compound was evaluated. Every member of the synthesized series was found potent against mentioned activities. Compound 7g was the most active anti-urease agent having IC50 [microM] value 16.5 +/- 0.09 even better than the thiourea with an IC50 [microM] value of 24.3 +/- 0.24. The better urease inhibition potential of 7g was also elaborated and explained by docking and bovine serum albumin [BSA] binding studies