Volume 8 | Issue - 10
Volume 8 | Issue - 9
Volume 8 | Issue - 9
Volume 8 | Issue - 9
Volume 8 | Issue - 9
Helicobacter pylori, a Gram-negative bacterium, is the etiological agent of a variety of gastroduodenal pathologies, including ulcers. The increasing resistance of this bacterium to antibiotics is driving the need to develop new therapeutic strategies. In this context, the human gastro-intestinal microbiota represents an interesting reservoir of antimicrobial molecules involved in host protection against various pathogens. In our work, we study in silico the inhibitory activity of 200 metabolites synthesized by various species of gastro intestinal microbiota towards urease, which plays a crucial role in the pathogenicity of this bacterium, conferring on its resistance to the gastric acidity. We first simulated the interaction between our molecules by molecular docking using FlexX prediction software, followed by a study of the ADME properties of the best compounds retained from the docking. Our results show M35 and M29 to be the best potential urease inhibitors, with a binding energy of -26.15 kJ/mol and-23.85 kJ/mol respectively, surpassing that of the reference acetohydroxamic acid (-10.95 kJ/mol), as well as possessing good ADME profiles, validating them as candidate drugs for limiting H. pylori associated infections.