Abstract
Background: The growing spread of drug resistance in Helicobacter pylori has caused concern. Urease is one of the most important enzymes associated with H. pylori activity. Oxadiazoles have a wide range of inhibitory activities. The aim of this study was to investigate new oxadiazole compounds as urease inhibitors of H. pylori. Methods: The synthesized compounds were reused as ligands in the previous study, and the initial structure of the compounds was optimized by the Molecular Mechanics Models method. Then, the compounds were evaluated as inhibitors on the active site of the urease enzyme by AutoDock Vina software, and the output results were analyzed and evaluated using soft Discovery Studio software. Results: All compounds, especially (4c) with flour groups, exhibited powerful inhibitory activity against the urease enzyme of H. pylori. Conclusions: The present findings indicated the inhibitory potential of the novel synthetic 1, 3, 4-oxadiazole compounds.
Highlights
The growing spread of drug resistance in Helicobacter pylori has caused concern
Oxadiazole derivatives were evaluated as urease inhibitors, and the results showed that compound 6a had the lowest Ki among the series, while compounds 6d, 6e, 6g, and 6i were subsequently found to have significant Ki values after 6a
The results indicated that group Cl could inhibit the H. pylori urease enzyme, but results of the present study indicated that the flour group can inhibit the urease enzyme
Summary
The growing spread of drug resistance in Helicobacter pylori has caused concern. Urease is one of the most important enzymes associated with H. pylori activity. The aim of this study was to investigate new oxadiazole compounds as urease inhibitors of H. pylori. Results: All compounds, especially (4c) with flour groups, exhibited powerful inhibitory activity against the urease enzyme of H. pylori. The production of large amounts of urease enzyme is essential for the survival and pathogenicity of H. pylori (3), which has been identified by the World Health Organization as a human carcinogen of group 1. This bacterium causes severe gastritis and peptic ulcers in all infected people (4). H. pylori activated urease depends on the presence of UreA/B gene structures to form the 550 kDa holoenzyme while UreIE/F subgenes and UreB/I/G genes are required for high expression of urease activity and bacterial establishment in the stomach, respectively
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