The structure-activity relationship of the papain hydrolysis of N-benzoylglycine esters

Biochim Biophys Acta. 1990 Apr 19;1038(2):158-63. doi: 10.1016/0167-4838(90)90199-p.

Abstract

The relationship between structure and the Michaelis-Menten constants (Km) for the papain hydrolysis of a series of 37 N-benzoylglycine esters was investigated. The series studied comprises a wide range of aromatic and aliphatic esters with a 5000-fold variation in their Km constants and essentially constant kcat values. It was found that the variation in the Km constants could be rationalized by the following quantitative structure-activity relationship (QSAR): log 1/Km = 8.13F + 0.33Z + 1.27II3' + 1.95. In this equation F is the field inductive parameter, II3' is the hydrophobic constant for the more lipophilic of the two possible meta substituents and Z is the Van der Waals distance from oxygen through the end of the molecule, in the direction of the 4 position of the aromatic ester moiety.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Computer Simulation
  • Glycine / analogs & derivatives*
  • Glycine / metabolism
  • Hydrolysis
  • Kinetics
  • Models, Chemical
  • Models, Molecular
  • Molecular Conformation
  • Papain / metabolism*
  • Structure-Activity Relationship

Substances

  • Papain
  • Glycine