Synthesis of new urease enzyme inhibitors as antiulcer drug and computational study.

In search of potent urease inhibitor indole analogues () were synthesized and evaluated for their urease inhibitory potential. All analogues () showed a variable degree of inhibitory interaction potential having IC value ranging between 0.60 ± 0.05 to 30.90 ± 0.90 M when compared with standard thiourea having IC value 21.86 ± 0.90 M. Among the synthesized analogues, the compounds and having IC value 3.10 ± 0.10, 1.20 ± 0.10, 4.60 ± 0.10, 0.60 ± 0.05, 5.30 ± 0.20, 2.50 ± 0.10, 7.50 ± 0.20, 3.90 ± 0.10, 3.90 ± 0.10, 2.30 ± 0.05 and 0.90 ± 0.05 M respectively were found many fold better than the standard thiourea. All other analogues showed better urease interaction inhibition. Structure activity relationship (SAR) has been established for all analogues containing different substituents on the phenyl ring. To understand the binding interaction of most active analogues with enzyme active site docking study were performed.Communicated by Ramaswamy H. Sarma.