Synthesis, Anticancer Evaluation and in Silico Studies of 1,4-Dihydropyridines

Chem Biodivers. 2023 Aug;20(8):e202201158. doi: 10.1002/cbdv.202201158. Epub 2023 Jul 20.

Abstract

An efficient 1,4-dihydropyridine synthesis under mild conditions has been developed. Numerous substrates were tested, with yields of 1,4-dihydropridines ranging from good to excellent and a wide range of functional group tolerance. A549, HT-29, and HepG2 cancer cells were used to investigate the anticancer efficacy of each of the produced compounds. Additionally, in-silico docking studies were conducted to understand the structure-based features of the anticancer mechanism with the cancer medication target of Adenosine A2A receptor as well as the molecular level interactions of the compounds.

Keywords: aldehydes; anticancer activity; imidazole hydrochloride; molecular docking studies; unsymmetrical 1,4-dihydropyridines.

MeSH terms

  • Antineoplastic Agents* / chemistry
  • Dihydropyridines* / chemistry
  • Dihydropyridines* / pharmacology
  • Drug Screening Assays, Antitumor
  • HT29 Cells
  • Hep G2 Cells
  • Humans
  • Molecular Docking Simulation
  • Molecular Structure
  • Structure-Activity Relationship

Substances

  • Dihydropyridines
  • Antineoplastic Agents