Inhibition of growth of Helicobacter pylori and its urease by coumarin derivatives: Molecular docking analysis

Abstract

ObjectiveIn the present study series of selected coumarin derivatives (CDs) were assessed for their inhibition of growth of Helicobacter pylori (H. pylori) and its related urease. The selected CDs were docked in-silico onto the ligand binding site of H. pylori urease. MethodsThe anti-H. pylori studies were carried out using agar diffusion assay and minimum inhibitory concentrations (MICs) were calculated by microbroth dilution method. Urease inhibitory activity of H. pylori using selected CDs was determined by Berthelot reaction and their IC50 values were calculated using GraphPad Prism version 6.00 while, docking studies were performed by ArgusLab 4.0.1. ResultThe results obtained indicate that, most of the CDs showed considerable anti-H. pylori activity (MIC range of 10–40 μg/ml) as well as significant inhibition of H. pylori urease (IC50 of 48.90–72.56 μM). To a greater extent, the in-silico results were in agreement with in-vitro results of inhibition of H. pylori urease. ConclusionThe present investigation may find applications in designing and developing a novel, safe and effective anti-H. pylori agents using coumarin scaffold.