Choline kinase inhibition and docking studies of a series of 6-(benzylthio)-9H-purin-9-yl-pyridinium derivatives

Belén Rubio-ruiz, Pablo Ríos-marco, María Paz Carrasco-jiménez, Antonio Espinosa, Ramon Hurtado-guerrero, Carmen Marco, Ana Conejo-garcía, Antonio Entrena

Research output: Contribution to journalArticlepeer-review

Abstract

Human choline kinase is a well validated target for the treatment of cancer. In the last two decades, many choline kinase inhibitors have been developed and one of them is currently under evaluation in clinical trials. In this
paper a series of 6-(benzylthio)-9H-purin-9-yl-pyridiniumderivatives were evaluated as choline kinase inhibitors, and their effects on cell proliferation were also investigated in the human hepatoma HepG2 cell line. The most potent
inhibitor against purified choline kinase-α1 presents an IC 50value of 0. μM. The biological data and the docking studies described here, support that the 4-(dimethylamino) pyridinium cationic head and a small linker (benzene or
biphenyl) are the essential structural parameters for choline kinase inhibition of the tested compounds.
Original languageEnglish
JournalMedicinal Chemistry Research
Early online date11 Jul 2017
DOIs
Publication statusE-pub ahead of print - 11 Jul 2017

Keywords

  • Choline kinase
  • Inhibitors
  • Pyridinium Compounds
  • Antiproliferative agents
  • Lipophilicity

Fingerprint

Dive into the research topics of 'Choline kinase inhibition and docking studies of a series of 6-(benzylthio)-9H-purin-9-yl-pyridinium derivatives'. Together they form a unique fingerprint.

Cite this