pH Dependence of inhibitors targeting the occluding loop of cathepsin B

Bioorg Chem. 2002 Aug;30(4):264-75. doi: 10.1016/s0045-2068(02)00009-3.

Abstract

Potent and selective cathepsin B inhibitors have previously been synthesized based upon the natural product cysteine protease inhibitor E-64. X-ray crystal data indicates that these compounds interact through their free carboxylate with the positively charged histidine residues located on the prime-side of the active site within the occluding loop of cathepsin B. Herein, we examine the pH dependence of two prime-side-binding compounds. In each case there is a dramatic decrease in k(inact)/K(I) as the pH is raised from 4 to 7.8 corresponding to a single ionization of pK(a) 4.4. These results suggest that targeting of the occluding loop of cathepsin B may be a poor inhibitor design strategy if the enzyme environment has a pH greater than 5.5. However, this type of inhibitor may be a useful tool to help elucidate the role and the environment of cathepsin B in invading tumors.

MeSH terms

  • Amino Acid Sequence
  • Cathepsin B / antagonists & inhibitors*
  • Cathepsin B / chemistry*
  • Cysteine Proteinase Inhibitors / chemistry*
  • Cysteine Proteinase Inhibitors / pharmacology*
  • Dipeptides / chemistry
  • Dipeptides / pharmacology
  • Drug Design
  • Humans
  • Hydrogen-Ion Concentration
  • Kinetics
  • Leucine / analogs & derivatives*
  • Leucine / chemistry
  • Leucine / pharmacology
  • Liver / enzymology
  • Phenylalanine / analogs & derivatives
  • Piperazines / chemistry
  • Piperazines / pharmacology
  • Protein Binding
  • Protein Structure, Secondary
  • Substrate Specificity
  • Sulfones / chemistry
  • Sulfones / pharmacology
  • Tosyl Compounds

Substances

  • APC-5840
  • Cysteine Proteinase Inhibitors
  • Dipeptides
  • N-(chloroacetyl)-leucylprolin-tert-butyl ester
  • Piperazines
  • Sulfones
  • Tosyl Compounds
  • N-pip-phenylalanine-homophenylalanine-vinyl sulfone phenyl
  • Phenylalanine
  • Cathepsin B
  • Leucine
  • E 64