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

12 Citations (Scopus)

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

Fingerprint

HhAntag691
Lead compounds
Derivatives
Triazoles
Molecular modeling
Stem cells
Proteins

Keywords

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

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Christodoulou, M. S., Mori, M., Pantano, R., Alfonsi, R., Infante, P., Botta, M., ... 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

Click reaction as a tool to combine pharmacophores : The case of Vismodegib. / Christodoulou, Michael S.; Mori, Mattia; Pantano, Rebecca; Alfonsi, Romina; Infante, Paola; Botta, Maurizio; Damia, Giovanna; Ricci, Francesca; Sotiropoulou, Panagiota A.; Liekens, Sandra; Botta, Bruno; Passarella, Daniele.

In: ChemPlusChem, Vol. 80, No. 6, 01.06.2015, p. 938-943.

Research output: Contribution to journalArticle

Christodoulou, MS, Mori, M, Pantano, R, Alfonsi, R, Infante, P, Botta, M, Damia, G, Ricci, F, Sotiropoulou, PA, Liekens, S, Botta, B & Passarella, D 2015, 'Click reaction as a tool to combine pharmacophores: The case of Vismodegib', ChemPlusChem, vol. 80, no. 6, pp. 938-943. https://doi.org/10.1002/cplu.201402435
Christodoulou MS, Mori M, Pantano R, Alfonsi R, Infante P, Botta M et al. Click reaction as a tool to combine pharmacophores: The case of Vismodegib. ChemPlusChem. 2015 Jun 1;80(6):938-943. https://doi.org/10.1002/cplu.201402435
Christodoulou, Michael S. ; Mori, Mattia ; Pantano, Rebecca ; Alfonsi, Romina ; Infante, Paola ; Botta, Maurizio ; Damia, Giovanna ; Ricci, Francesca ; Sotiropoulou, Panagiota A. ; Liekens, Sandra ; Botta, Bruno ; Passarella, Daniele. / Click reaction as a tool to combine pharmacophores : The case of Vismodegib. In: ChemPlusChem. 2015 ; Vol. 80, No. 6. pp. 938-943.
@article{3831f005f95d4266a6b3b0ad1957a5d7,
title = "Click reaction as a tool to combine pharmacophores: The case of Vismodegib",
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.",
keywords = "cancer stem cells, click chemistry, docking, hedgehog pathway, vismodegib",
author = "Christodoulou, {Michael S.} and Mattia Mori and Rebecca Pantano and Romina Alfonsi and Paola Infante and Maurizio Botta and Giovanna Damia and Francesca Ricci and Sotiropoulou, {Panagiota A.} and Sandra Liekens and Bruno Botta and Daniele Passarella",
year = "2015",
month = "6",
day = "1",
doi = "10.1002/cplu.201402435",
language = "English",
volume = "80",
pages = "938--943",
journal = "ChemPlusChem",
issn = "2192-6506",
publisher = "Wiley-VCH Verlag",
number = "6",

}

TY - JOUR

T1 - Click reaction as a tool to combine pharmacophores

T2 - The case of Vismodegib

AU - Christodoulou, Michael S.

AU - Mori, Mattia

AU - Pantano, Rebecca

AU - Alfonsi, Romina

AU - Infante, Paola

AU - Botta, Maurizio

AU - Damia, Giovanna

AU - Ricci, Francesca

AU - Sotiropoulou, Panagiota A.

AU - Liekens, Sandra

AU - Botta, Bruno

AU - Passarella, Daniele

PY - 2015/6/1

Y1 - 2015/6/1

N2 - 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.

AB - 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.

KW - cancer stem cells

KW - click chemistry

KW - docking

KW - hedgehog pathway

KW - vismodegib

UR - http://www.scopus.com/inward/record.url?scp=84934875860&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84934875860&partnerID=8YFLogxK

U2 - 10.1002/cplu.201402435

DO - 10.1002/cplu.201402435

M3 - Article

AN - SCOPUS:84934875860

VL - 80

SP - 938

EP - 943

JO - ChemPlusChem

JF - ChemPlusChem

SN - 2192-6506

IS - 6

ER -