{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Thirugnanasambantham P"],"funding":["NIH HHS"],"pagination":["1102"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9609667"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["11(10)"],"pubmed_abstract":["Although salmonellosis, an infectious disease, is a significant global healthcare burden, there are no <i>Salmonella</i>-specific vaccines or therapeutics for humans. Motivated by our finding that FraB, a <i>Salmonella</i> deglycase responsible for fructose-asparagine catabolism, is a viable drug target, we initiated experimental and computational efforts to identify inhibitors of FraB. To this end, our recent high-throughput screening initiative yielded almost exclusively uncompetitive inhibitors of FraB. In parallel with this advance, we report here how a separate structural and computational biology investigation of FrlB, a FraB paralog, led to the serendipitous discovery that 2-deoxy-6-phosphogluconate is a competitive inhibitor of FraB (K<sub>I</sub> ~ 3 μM). However, this compound wa"],"journal":["Pathogens (Basel, Switzerland)"],"pubmed_title":["Serendipitous Discovery of a Competitive Inhibitor of FraB, a <i>Salmonella</i> Deglycase and Drug Target."],"pmcid":["PMC9609667"],"funding_grant_id":["NIAID AI140541"],"pubmed_authors":["Behrman EJ","Capua AD","Wysocki VH","Lindert S","Ahmer BMM","Thirugnanasambantham P","Mitton-Fry M","Sabag-Daigle A","Gopalan V","Cool A","Boulanger EF","Gao Y","Kovvali S"],"additional_accession":[]},"is_claimable":false,"name":"Serendipitous Discovery of a Competitive Inhibitor of FraB, a <i>Salmonella</i> Deglycase and Drug Target.","description":"Although salmonellosis, an infectious disease, is a significant global healthcare burden, there are no <i>Salmonella</i>-specific vaccines or therapeutics for humans. Motivated by our finding that FraB, a <i>Salmonella</i> deglycase responsible for fructose-asparagine catabolism, is a viable drug target, we initiated experimental and computational efforts to identify inhibitors of FraB. To this end, our recent high-throughput screening initiative yielded almost exclusively uncompetitive inhibitors of FraB. In parallel with this advance, we report here how a separate structural and computational biology investigation of FrlB, a FraB paralog, led to the serendipitous discovery that 2-deoxy-6-phosphogluconate is a competitive inhibitor of FraB (K<sub>I</sub> ~ 3 μM). However, this compound wa","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Sep","modification":"2025-04-18T21:21:38.772Z","creation":"2024-12-03T15:39:06.022Z"},"accession":"S-EPMC9609667","cross_references":{"pubmed":["36297159"],"doi":["10.3390/pathogens11101102"]}}