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Structure–Activity Relationships and Molecular Docking of Novel Dihydropyrimidine‐Based Mitotic Eg5 Inhibitors |
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| Authors: | Dr. Hana Prokopcová Dr. Doris Dallinger Prof. Dr. Georg Uray Hung Yi Kristal Kaan Dr. Venkatasubramanian Ulaganathan Prof. Dr. Frank Kozielski Dr. Christian Laggner Prof. Dr. C. Oliver Kappe |
| Affiliation: | 1. Institute of Chemistry, Karl Franzens University Graz, Heinrichstrasse 28, 8010 Graz (Austria), Fax: (+43)?316‐380‐9840;2. The Beatson Institute for Cancer Research, Switchback Road, Bearsden, Glasgow G61?1BD, Scotland (UK);3. Department of Pharmaceutical Chemistry, Institute of Pharmacy and Center for Molecular Biosciences (CMBI), University of Innsbruck, Innrain 52c, 6020 Innsbruck (Austria), Fax: (+43)?415‐514‐4260 |
| Abstract: | Dihydropyrimidine‐based compounds belong to the first discovered inhibitors of the human mitotic kinesin Eg5. Although they are used by many research groups as model compounds for chemical genetics, considerably less emphasis has been placed on the improvement of this type of inhibitor, with the exception of two recent studies. Dihydropyrimidines can be divided into class I (analogues that bind in the S configuration) and class II type inhibitors, which bind in the R configuration. Herein we report the synthesis and optimization of novel class II type dihydropyrimidines using a combination of in vitro and docking techniques. |
| Keywords: | cancer dihydropyrimidines kinesin inhibitors molecular docking multicomponent reactions |