SAR analysis of adenosine diphosphate (hydroxymethyl)pyrrolidinediol inhibition of poly(ADP-ribose) glycohydrolase

J Med Chem. 2003 Sep 25;46(20):4322-32. doi: 10.1021/jm020541u.

Abstract

Polyadenosine diphosphoribose glycohydrolase (PARG) catalyzes the intracellular hydrolysis of adenosine diphosphoribose polymers. Because structure-activity data are lacking for PARG, the specific inhibitor adenosine diphosphate (hydroxymethyl)pyrrolidinediol (ADP-HPD) was utilized to determine the effects of structure on inhibitor potency using PARG isolated from bovine thymus (bPARG) and recombinant bovine PARG catalytic fragment (rPARG-CF). Both enzymes were strongly inhibited by submicromolar levels of ADP-HPD, but ADP and the phosphorylated pyrrolidine displayed no activity. Utilizing ADP-HPD analogues containing 2-, N(6), or 8-adenosyl substituents or guanine instead of adenine, the importance of adenine ring recognition as well as a correlation between loss of PARG inhibition and the length and bulkiness of 8-adenosyl substituents was shown. Utilization of ADP-HPD analogues lacking one or both pyrrolidine cis-hydroxyls demonstrated their importance for inhibitor binding. Last, the similarity between naturally occurring bPARG and heterologously expressed rPARG-CF was demonstrated. Therefore, readily available rPARG-CF is suitable for use in future studies to determine the structural aspects of PARG.

Publication types

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

MeSH terms

  • Adenosine Diphosphate / analogs & derivatives*
  • Adenosine Diphosphate / chemical synthesis
  • Adenosine Diphosphate / chemistry*
  • Adenosine Diphosphate / pharmacology*
  • Animals
  • Binding Sites
  • Cattle
  • Enzyme Inhibitors / chemical synthesis
  • Enzyme Inhibitors / chemistry*
  • Enzyme Inhibitors / pharmacology*
  • Glycoside Hydrolases / antagonists & inhibitors*
  • Glycoside Hydrolases / genetics
  • Inhibitory Concentration 50
  • Peptide Fragments / antagonists & inhibitors
  • Peptide Fragments / genetics
  • Poly Adenosine Diphosphate Ribose / metabolism
  • Pyrrolidines / chemical synthesis
  • Pyrrolidines / chemistry*
  • Pyrrolidines / pharmacology*
  • Recombinant Proteins / antagonists & inhibitors
  • Recombinant Proteins / genetics
  • Structure-Activity Relationship

Substances

  • Enzyme Inhibitors
  • Peptide Fragments
  • Pyrrolidines
  • Recombinant Proteins
  • adenosine diphosphate (hydroxymethyl)pyrrolidinediol
  • Poly Adenosine Diphosphate Ribose
  • Adenosine Diphosphate
  • Glycoside Hydrolases
  • poly ADP-ribose glycohydrolase