Renin inhibitors containing conformationally restricted P1-P1' dipeptide mimetics

J Med Chem. 1991 Mar;34(3):887-900. doi: 10.1021/jm00107a004.

Abstract

A series of renin inhibitors containing lactam-bridged P1-P1' dipeptide mimetics based on the ACHPA (4(S)-amino-5-cyclohexyl-3(S)-hydroxypentanoic acid) design was studied. The inhibitors were obtained by aldol addition of various lactams with N alpha-Boc-L-cyclohexylalaninal, followed by Boc group removal and acylation with Boc-Phe-His. The aldol diastereomer having the S configuration at the two newly generated stereogenic centers gave optimal enzyme inhibition. Potency was further enhanced in the gamma-lactam ring series by substitution with small hydrophobic groups to mimic the P1' side chain of the renin substrate. Thus, 2(S)-[(Boc-L-phenylalanyl-L-histidyl)amino]-3-cyclohexyl-1(S)-hydroxyl-1 - (1,5,5-trimethyl-2-oxopyrrolidin-3(S)-yl)propane (34) has an IC50 of 1.3 nM in the human plasma renin assay. A variety of substituents on the lactam nitrogen are tolerated and can be used to vary the physical properties of the inhibitor. By using a model of the human renin active site, the conformation of 34 in the enzyme-inhibitor complex is proposed. This modeled conformation is very similar to the solid-state conformation of 2(S)-[(Boc-L-phenylalanyl-L-histidyl)amino]-3-cyclohexyl-1(S)-hydroxyl- 1-(1-methyl-2-oxopyrrolidin-3(S)-yl)propane (36), the structure of which was determined by single-crystal X-ray diffraction analysis. The most potent ACH-PA-lactam renin inhibitors show good selectivity when assayed against other types of aspartic proteinases. By varying the lactam ring substituents, potent and selective inhibitors of cathepsin D and cathepsin E can be obtained.

Publication types

  • Comparative Study

MeSH terms

  • Animals
  • Binding Sites
  • Chemical Phenomena
  • Chemistry
  • Dipeptides*
  • Female
  • Humans
  • Kinetics
  • Macaca mulatta
  • Male
  • Models, Molecular
  • Molecular Conformation
  • Molecular Structure
  • Oligopeptides / chemical synthesis*
  • Oligopeptides / chemistry
  • Oligopeptides / pharmacology
  • Renin / antagonists & inhibitors*
  • Renin / blood
  • Structure-Activity Relationship
  • X-Ray Diffraction

Substances

  • Dipeptides
  • Oligopeptides
  • renin inhibitory peptide, 4-amino-5-cyclohexyl-3-hydroxypentanoic acid
  • Renin