Prediction of agonist, partial agonist and full antagonist of H. pylori TlpB utilizing molecular docking

Abstract

Helicobacter pylori infections are one of the major issues that produce gastric and duodenal ulcers due to chronic gastritis. Deforestation and global warming may cause ecological imbalance followed by climatic change due to enhanced temperature. This may contribute to abdominal discomfort and gastritis specifically in case of in taking a lot of non-vegetables, fast and junk foods, oily and spicy foods. H. pylori, which is asymptomatic for almost 80% of people’s gastrointestinal tract (G.I.T.), may be stimulated due to chronic gastritis. It has been associated with colorectal polyps and cancer, if not treated well. Therefore, attention has been paid to predict some urea compounds as H. pylori antagonists utilizing structure-based molecular docking. Earlier reports of such work do not exist