• Media type: E-Article
  • Title: Chiral Pool Synthesis, Biological Evaluation and Molecular Docking Studies of C‐Furanosidic LpxC Inhibitors
  • Contributor: Dreger, Alexander; Kharwb, Omar; Agoglitta, Oriana; Bülbül, Emre F.; Melesina, Jelena; Sippl, Wolfgang; Holl, Ralph
  • Published: Wiley, 2019
  • Published in: ChemMedChem, 14 (2019) 8, Seite 871-886
  • Language: English
  • DOI: 10.1002/cmdc.201900068
  • ISSN: 1860-7179; 1860-7187
  • Origination:
  • Footnote:
  • Description: AbstractInhibitors of the bacterial deacetylase LpxC are a promising class of novel antibiotics, being selectively active against Gram‐negative bacteria. To improve the biological activity of reported C‐furanosidic LpxC inhibitors, the stereochemistry at positions 3 and 4 of the tetrahydrofuran ring was varied. In chiral pool syntheses starting from d‐gulono‐γ‐lactone and d‐ribose, a series of (3S,4R)‐configured dihydroxytetrahydrofuran derivatives was obtained, of which the (2S,5S)‐configured hydroxamic acid 15 ((2S,3S,4R,5S)‐N,3,4‐trihydroxy‐5‐(4‐{[4‐(morpholinomethyl)phenyl]ethynyl}phenyl)tetrahydrofuran‐2‐carboxamide) was found to be the most potent LpxC inhibitor (Ki=0.4 μm), exhibiting the highest antibacterial activity against E. coli BL21 (DE3) and the D22 strain. Additionally, molecular docking studies were performed to rationalize the obtained structure–activity relationships.