Nucleotide analogues containing a pyrrolidine, piperidine or piperazine ring: Synthesis and evaluation of inhibition of plasmodial and human 6-oxopurine phosphoribosyltransferases and in vitro antimalarial activity

Eur J Med Chem. 2021 Jul 5:219:113416. doi: 10.1016/j.ejmech.2021.113416. Epub 2021 Apr 3.

Abstract

Parasites of the Plasmodium genus are unable to produce purine nucleotides de novo and depend completely on the salvage pathway. This fact makes plasmodial hypoxanthine-guanine-(xanthine) phosphoribosyltransferase [HG(X)PRT] a valuable target for development of antimalarial agents. A series of nucleotide analogues was designed, synthesized and evaluated as potential inhibitors of Plasmodium falciparum HGXPRT, P. vivax HGPRT and human HGPRT. These novel nucleoside phosphonates have a pyrrolidine, piperidine or piperazine ring incorporated into the linker connecting the purine base to a phosphonate group(s) and exhibited a broad range of Ki values between 0.15 and 72 μM. The corresponding phosphoramidate prodrugs, able to cross cell membranes, have been synthesized and evaluated in a P. falciparum infected human erythrocyte assay. Of the eight prodrugs evaluated seven exhibited in vitro antimalarial activity with IC50 values within the range of 2.5-12.1 μM. The bis-phosphoramidate prodrug 13a with a mean (SD) IC50 of 2.5 ± 0.7 μM against the chloroquine-resistant P. falciparum W2 strain exhibited low cytotoxicity in the human hepatocellular liver carcinoma (HepG2) and normal human dermal fibroblasts (NHDF) cell lines at a concentration of 100 μM suggesting good selectivity for further structure-activity relationship investigations.

Keywords: HG(X)PRT; Hypoxanthine-guanine-(xanthine) phosphoribosyltransferase; Nucleoside phosphonates; Phosphoroamidate prodrug; Plasmodium falciparum; Plasmodium vivax.

MeSH terms

  • Antimalarials / chemical synthesis*
  • Antimalarials / metabolism
  • Antimalarials / pharmacology
  • Cell Line
  • Cell Survival / drug effects
  • Drug Evaluation, Preclinical
  • Drug Resistance / drug effects
  • Enzyme Inhibitors / chemistry*
  • Enzyme Inhibitors / metabolism
  • Erythrocytes / cytology
  • Erythrocytes / metabolism
  • Erythrocytes / parasitology
  • Humans
  • Nucleotides / chemistry*
  • Nucleotides / metabolism
  • Pentosyltransferases / antagonists & inhibitors*
  • Pentosyltransferases / metabolism
  • Piperazine / chemistry
  • Piperidines / chemistry
  • Plasmodium falciparum / drug effects
  • Plasmodium falciparum / enzymology
  • Plasmodium vivax / enzymology
  • Prodrugs / chemical synthesis
  • Prodrugs / chemistry
  • Prodrugs / metabolism
  • Prodrugs / pharmacology
  • Protozoan Proteins / antagonists & inhibitors*
  • Protozoan Proteins / metabolism
  • Pyrrolidines / chemistry
  • Structure-Activity Relationship

Substances

  • Antimalarials
  • Enzyme Inhibitors
  • Nucleotides
  • Piperidines
  • Prodrugs
  • Protozoan Proteins
  • Pyrrolidines
  • Piperazine
  • Pentosyltransferases
  • hypoxanthine-guanine-xanthine phosphoribosyltransferase
  • pyrrolidine