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

doi:10.1002/cplu.201402435

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

Istituto di Ricerche Farmacologiche "Mario Negri"

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	938-943
Number of pages	6
Journal	ChemPlusChem
Volume	80
Issue number	6
DOIs	https://doi.org/10.1002/cplu.201402435
Publication status	Published - Jun 1 2015

Keywords

cancer stem cells
click chemistry
docking
hedgehog pathway
vismodegib

ASJC Scopus subject areas

Chemistry(all)

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10.1002/cplu.201402435

Cite this

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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.",

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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

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

Abstract

Keywords

ASJC Scopus subject areas

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