Source:http://linkedlifedata.com/resource/pubmed/id/17570665
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
14
|
| pubmed:dateCreated |
2007-6-22
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| pubmed:abstractText |
Virtual screening against a pCDK2/cyclin A crystal structure led to the identification of a potent and novel CDK2 inhibitor, which exhibited an unusual mode of interaction with the kinase binding motif. With the aid of X-ray crystallography and modelling, a medicinal chemistry strategy was implemented to probe the interactions seen in the crystal structure and to establish SAR. A fragment-based approach was also considered but a different, more conventional, binding mode was observed. Compound selectivity against GSK-3beta was improved using a rational design strategy, with crystallographic verification of the CDK2 binding mode.
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| pubmed:language |
eng
|
| pubmed:journal | |
| pubmed:citationSubset |
IM
|
| pubmed:chemical | |
| pubmed:status |
MEDLINE
|
| pubmed:month |
Jul
|
| pubmed:issn |
0960-894X
|
| pubmed:author |
pubmed-author:BorgognoniJeniferJ,
pubmed-author:DokurnoPawelP,
pubmed-author:DrysdaleMartin JMJ,
pubmed-author:FinchHarryH,
pubmed-author:HowesRobR,
pubmed-author:HubbardRoderick ERE,
pubmed-author:JacksonPhilip SPS,
pubmed-author:KierstanPeterP,
pubmed-author:LentzenGeorgG,
pubmed-author:MooreJonathan DJD,
pubmed-author:MurrayJames BJB,
pubmed-author:NunnsClaire LCL,
pubmed-author:ParrattMartin JMJ,
pubmed-author:RichardsonChristine MCM,
pubmed-author:SimmoniteHeatherH,
pubmed-author:SurgenorAllan EAE,
pubmed-author:TorranceChristopher JCJ,
pubmed-author:WilliamsonDouglas SDS
|
| pubmed:issnType |
Print
|
| pubmed:day |
15
|
| pubmed:volume |
17
|
| pubmed:owner |
NLM
|
| pubmed:authorsComplete |
Y
|
| pubmed:pagination |
3880-5
|
| pubmed:dateRevised |
2009-11-19
|
| pubmed:meshHeading | |
| pubmed:year |
2007
|
| pubmed:articleTitle |
Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping.
|
| pubmed:affiliation |
Vernalis (R&D) Ltd, Granta Park, Cambridge CB21 6GB, UK. c.richardson@vernalis.com
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| pubmed:publicationType |
Journal Article
|