Helicobacter pylori is the most common gram-negative pathogen that causes chronic gastric inflammation and may lead to gastric cancer. To date, it is hard to eradicate and manage H. pylori infections but with limited combination therapies consistent efforts are in process. However, the immense and repetitive use of the same combination therapies over time made the bacterium resistant to several drugs. Consequently, H. pylori has been considered as a serious threat to human health and require novel antimicrobial drug candidates.
Considering the resistance mechanisms of H. pylori, the DNA polymerase III subunit β (DnaN) was selected as the drug target against which several inhibitors were optimized. Some of the inhibitors were found to be highly potent inhibitors of DnaN as evaluated by utilizing built-in libraries of BioSolveIT, infiniSee, CoLibri, FTrees, SeeSAR’s Inspirator and Molecule Editor Mode, and ReCore. We have discovered a benzamide derivatives as lead class of inhibitor for DnaN via AI- based docking, virtual screening, molecular editing, and toxicological investigation.
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