Harnessing Pillar[5]arene Host-Guest Complexation To Improve pH Stability and Affect Enzymatic Degradation of the Anticancer Prodrug Capecitabine: A 19 F NMR Study

Chemistry. 2023 Sep 6;29(50):e202301628. doi: 10.1002/chem.202301628. Epub 2023 Aug 4.

Abstract

Cancer is a global health problem, and supramolecular chemotherapy is emerging as a novel strategy to battle the disease. Here, we first evaluated the thermodynamic and kinetic stability of the complexes formed between several water-soluble per-substituted pillar[5]arene derivatives and capecitabine (1), a widely used oral chemotherapeutic prodrug. The exchange rate was studied, for the first time in pillararene chemistry, by the 19 F guest exchange saturation transfer (GEST) NMR technique. Importantly, when we evaluated the effect of complexation on the characteristics of 1, we found that the complexation of 1 with such pillar[5]arene hosts increased capecitabine stability at acidic pH very significantly and slowed its enzymatic degradation by the carboxylesterase enzyme in a manner that depended on the host. These interesting findings could have implications on the clinical use of this heavily used prodrug and might affect the management of cancer patients.

Keywords: cancer; capecitabine; host-guest interactions; pillararenes; supramolecular chemistry; supramolecular chemotherapy.

MeSH terms

  • Capecitabine
  • Humans
  • Hydrogen-Ion Concentration
  • Prodrugs* / chemistry
  • Quaternary Ammonium Compounds / chemistry

Substances

  • Prodrugs
  • pillar(5)arene
  • Capecitabine
  • Quaternary Ammonium Compounds