Application of robotics to steady state enzyme kinetics: analysis of tight-binding inhibitors of dipeptidyl peptidase IV

Anal Biochem. 2003 Oct 15;321(2):157-66. doi: 10.1016/s0003-2697(03)00434-2.

Abstract

Using available commercial robotics and instrumentation, we developed a fully automated and rigorous steady state enzyme kinetic assay for dipeptidyl peptidase IV (DPP IV; E.C. 3.4.14.5). The automated assay was validated with isoleucyl thiazolidide, a potent inhibitor of DPP IV with K(is)=110nM. Signal window analysis indicated that the assay had a 98% probability of detecting an inhibitor yielding 15% inhibition, with a predicted false positive rate of 0.13%. A mechanistic inhibition version of the automated assay was validated with isoleucyl 4-cyanothiazolidide, a very potent inhibitor of DPP IV. Isoleucyl 4-cyanothiazolidide was a competitive inhibitor of purified porcine DPP IV with K(is)=1 nM. Similar K(is) values were obtained for purified rat DPP IV and for DPP IV activity in human plasma from normal and diabetic donors. The pH dependence of K(is) for isoleucyl 4-cyanothiazolidide yielded a bell-shaped profile, with pK(a)=5.0 and pK(b)=7.6. To date, over 100,000 data points have been generated in profiling targeted compound libraries and in the analysis of tight-binding inhibitors of DPP IV. The data also show that robotic analysis is capable of producing full mechanistic inhibition analysis in a timely fashion to support drug discovery.

Publication types

  • Validation Study

MeSH terms

  • Animals
  • Binding, Competitive
  • Dipeptidyl Peptidase 4 / analysis*
  • Dipeptidyl Peptidase 4 / blood
  • Dipeptidyl Peptidase 4 / metabolism
  • Humans
  • Isoleucine / analogs & derivatives*
  • Isoleucine / metabolism
  • Isoleucine / pharmacology
  • Kidney / enzymology
  • Kinetics
  • Models, Chemical
  • Protease Inhibitors / metabolism
  • Protease Inhibitors / pharmacology*
  • Rats
  • Robotics / methods*
  • Thiazoles / metabolism
  • Thiazoles / pharmacology

Substances

  • Protease Inhibitors
  • Thiazoles
  • isoleucyl-thiazolidide
  • Isoleucine
  • Dipeptidyl Peptidase 4