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Unzue, Andrea; Lafleur, Karine; Zhao, Hongtao; Zhou, Ting; Dong, Jing; Kolb, Peter; Liebl, Johanna; Zahler, Stefan; Caflisch, Amedeo and Nevado, Cristina (2016): Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation. In: European Journal of Medicinal Chemistry, Vol. 112: pp. 347-366

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Several selective and potent EphB4 inhibitors have been discovered, optimized and biophysically characterized by our groups over the past years. On the outset of these discoveries high throughput docking techniques were applied. Herein, we review the optimization campaigns started from three of these hits (Xan-A1, Pyr-A1 and Qui-A1) with emphasis on their in depth in vitro and in vivo characterization, together with previously unpublished angiogenesis and fluorescence based assays. (C) 2016 Elsevier SAS. All rights reserved.

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