Structure-reactivity relationships in the inactivation of elastase by beta-sultams

Org Biomol Chem. 2003 Jan 7;1(1):67-80. doi: 10.1039/b208079f.

Abstract

N-Acyl-beta-sultams are time dependent irreversible active site directed inhibitors of elastase. The rate of inactivation is first order with respect to beta-sultam concentration and the second order rate constants show a similar dependence on pH to that for the hydrolysis of a peptide substrate. Inactivation is due to the formation of a stable 1:1 enzyme inhibitor complex as a result of the active site serine being sulfonylated by the beta-sultam. Ring opening of the beta-sultam occurs by S-N fission in contrast to the C-N fission observed in the acylation of elastase by N-acylsulfonamides. Structure-activity effects are compared between sulfonylation of the enzyme and alkaline hydrolysis. Variation in 4-alkyl and N-substituted beta-sultams causes differences in the rates of inactivation by 4 orders of magnitude.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Binding Sites
  • Crystallography, X-Ray
  • Enzyme Inhibitors / pharmacology*
  • Hydrogen-Ion Concentration
  • Hydrolysis
  • Kinetics
  • Magnetic Resonance Spectroscopy
  • Models, Chemical
  • Models, Molecular
  • Pancreatic Elastase / antagonists & inhibitors*
  • Peptides / chemistry
  • Serine / chemistry
  • Structure-Activity Relationship
  • Sulfonamides / chemistry*
  • Sulfonamides / pharmacology*
  • Time Factors

Substances

  • Enzyme Inhibitors
  • Peptides
  • Sulfonamides
  • beta-sultam
  • Serine
  • Pancreatic Elastase