Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation

TitleThree stories on Eph kinase inhibitors: From in silico discovery to in vivo validation
Publication TypeJournal Article
Year of Publication2016
AuthorsUnzue A., Lafleur K., Zhao H., Zhou T., Dong J., Kolb P., Liebl J., Zahler S., Caflisch A., Nevado C.
JournalEuropean Journal of Medicinal Chemistry
Volume112
Start Page347
Pagination347-366
Date Published2016 Apr 13
Type of ArticleReview Article
ISSN1768-3254
KeywordsAnimals, Computer Simulation, Drug Design, Humans, Isoquinolines, Neoplasms, Protein Kinase Inhibitors, Quinoxalines, Receptor, EphB2, Structure-Activity Relationship, Xanthine
Abstract

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Pyr-A1 and Qui-A1) with emphasis on their in depth in vitro and in vivo characterization, together with previously unpublished angiogenesis and fluorescence based assays.

DOI10.1016/j.ejmech.2016.01.057
pubindex

0208

Alternate JournalEur. J. Med. Chem.
PubMed ID26907157
Highlight Role: 
Drug Design