Click reaction as a tool to combine pharmacophores: The case of Vismodegib

Michael S. Christodoulou, Mattia Mori, Rebecca Pantano, Romina Alfonsi, Paola Infante, Maurizio Botta, Giovanna Damia, Francesca Ricci, Panagiota A. Sotiropoulou, Sandra Liekens, Bruno Botta, Daniele Passarella

Research output: Contribution to journalArticle

Abstract

Abstract The design and the preparation of a small library of 1,4-diphenyl-1,2,3-triazole derivatives is reported, with the aim to obtain a new class of Hedgehog pathway inhibitors. The smoothened protein is part of the hedgehog signaling pathway that is inhibited by the lead compound Vismodegib. Based on molecular modeling simulations, seven triazole derivatives of Vismodegib are synthesized and their biological effect on different endothelial, cancer, and cancer stem cell lines is reported.

Original languageEnglish
Pages (from-to)938-943
Number of pages6
JournalChemPlusChem
Volume80
Issue number6
DOIs
Publication statusPublished - Jun 1 2015

Keywords

  • cancer stem cells
  • click chemistry
  • docking
  • hedgehog pathway
  • vismodegib

ASJC Scopus subject areas

  • Chemistry(all)

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    Christodoulou, M. S., Mori, M., Pantano, R., Alfonsi, R., Infante, P., Botta, M., Damia, G., Ricci, F., Sotiropoulou, P. A., Liekens, S., Botta, B., & Passarella, D. (2015). Click reaction as a tool to combine pharmacophores: The case of Vismodegib. ChemPlusChem, 80(6), 938-943. https://doi.org/10.1002/cplu.201402435