Design of benzoic acid inhibitors of influenza neuraminidase containing a cyclic substitution for the N-acetyl grouping.

Academic Article


  • A 2-pyrrolidinone ring containing a single hydroxymethyl side chain effectively replaces the N-acetylamino group of 4-(N-acetylamino)-3-guanidinobenzoic acid, a low micromolar inhibitor of influenza neuraminidase. This novel structural template affords new opportunities to evolve more potent benzoic acid inhibitors.
  • Keywords

  • Benzoic Acid, Binding Sites, Computer Simulation, Drug Design, Enzyme Inhibitors, Hydrogen Bonding, Inhibitory Concentration 50, Models, Molecular, Neuraminidase, Orthomyxoviridae, Pyrrolidinones, Structure-Activity Relationship
  • Author List

  • Brouillette WJ; Atigadda VR; Luo M; Air GM; Babu YS; Bantia S
  • Start Page

  • 1901
  • End Page

  • 1906
  • Volume

  • 9
  • Issue

  • 14