点击反应作为一种组合药效基团的工具：维莫德吉的案例
Click Reaction as a Tool to Combine Pharmacophores: The Case of Vismodegib.
作者信息
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
机构信息
Dipartimento di Chimica, Università degli Studi di Milano, Via Golgi 19, 20133 Milano (Italy), Fax: (+39) 02-50314078.
Center for Life Nano Science@Sapienza, Istituto Italiano di Tecnologia, Viale Regina Elena 291, 00161 Roma (Italy).
出版信息
Chempluschem. 2015 Jun;80(6):938-943. doi: 10.1002/cplu.201402435. Epub 2015 Feb 27.
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.
报道了一个包含1,4-二苯基-1,2,3-三唑衍生物的小型文库的设计与制备，目的是获得一类新型的刺猬信号通路抑制剂。平滑蛋白是刺猬信号通路的一部分，该通路会被先导化合物维莫德吉抑制。基于分子模拟，合成了维莫德吉的七种三唑衍生物，并报道了它们对不同内皮细胞、癌细胞和癌症干细胞系的生物学效应。
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