Exploring the UDP pocket of LpxC through amino acid analogs

Bioorg Med Chem Lett. 2013 Apr 15;23(8):2362-7. doi: 10.1016/j.bmcl.2013.02.055. Epub 2013 Mar 1.

Abstract

Lipopolysaccharide (LPS) biosynthesis is an attractive antibacterial target as it is both conserved and essential for the survival of key pathogenic bacteria. Lipid A is the hydrophobic anchor for LPS and a key structural component of the outer membrane of Gram-negative bacteria. Lipid A biosynthesis is performed in part by a unique zinc dependent metalloamidase, LpxC (UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase), which catalyzes the first non-reversible step in lipid A biosynthesis. The UDP portion of the LpxC substrate-binding pocket has been relatively unexplored. We have designed and evaluated a series of hydroxamate based inhibitors which explore the SAR of substitutions directed into the UDP pocket with a range of substituted α-amino acid based linkers. We also provide the first wild type structure of Pseudomonas aeruginosa LpxC which was utilized in the design of many of these analogs.

MeSH terms

  • Amidohydrolases / antagonists & inhibitors*
  • Amidohydrolases / chemistry*
  • Amidohydrolases / metabolism
  • Amino Acid Sequence
  • Amino Acids, Cyclic / chemistry*
  • Anti-Bacterial Agents / chemical synthesis
  • Anti-Bacterial Agents / chemistry
  • Binding Sites
  • Drug Design
  • Hydrophobic and Hydrophilic Interactions
  • Hydroxamic Acids / chemical synthesis
  • Hydroxamic Acids / chemistry
  • Hydroxamic Acids / pharmacology
  • Lipid A / antagonists & inhibitors
  • Lipid A / biosynthesis
  • Lipopolysaccharides / antagonists & inhibitors
  • Lipopolysaccharides / biosynthesis
  • Models, Molecular
  • Protein Conformation
  • Structure-Activity Relationship
  • Uridine Diphosphate / chemistry*
  • Uridine Diphosphate / metabolism

Substances

  • Amino Acids, Cyclic
  • Anti-Bacterial Agents
  • Hydroxamic Acids
  • Lipid A
  • Lipopolysaccharides
  • Uridine Diphosphate
  • Amidohydrolases
  • LpxC deacetylase, Pseudomonas