De novo design and optimization of Aurora A kinase inhibitors
β Scribed by Rodrigues, Tiago; Roudnicky, Filip; Koch, Christian P.; Kudoh, Takayuki; Reker, Daniel; Detmar, Michael; Schneider, Gisbert
- Book ID
- 120258040
- Publisher
- The Royal Society of Chemistry
- Year
- 2013
- Tongue
- English
- Weight
- 282 KB
- Volume
- 4
- Category
- Article
- ISSN
- 2041-6520
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In this report refinements to the S4 ligand group leads to compound 19, an inhibitor of fXa with good potency in vitro and an improved pharmacokinetic profile in rabbit. The X-ray crystallographic study of a representative analogue confirms our binding model for this series.
## Abstract A threeβdimensional pharmacophore model was developed from a series of inhibitors of Aurora A kinase to discover new potent antiβcancer agents using the HypoGen module in the Catalyst software. The pharmacophore model was developed based on the structure of 20 currently available inhibi