|
rdf:type |
|
|
lifeskim:mentions |
umls-concept:C0044602,
umls-concept:C0205314,
umls-concept:C0220908,
umls-concept:C0243077,
umls-concept:C0285761,
umls-concept:C0456387,
umls-concept:C0679622,
umls-concept:C1150481,
umls-concept:C1368105,
umls-concept:C1451005,
umls-concept:C1553497,
umls-concept:C1705325,
umls-concept:C1708096,
umls-concept:C1880355
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|
pubmed:issue |
2
|
|
pubmed:dateCreated |
2011-1-11
|
|
pubmed:abstractText |
The discovery of ligand efficient and lipophilicity efficient fragment inhibitors of class 1 phosphatidylinositide 3-kinases (PI3K) is reported. A fragment version of the AstraZeneca compound bank was docked to a homology model of the PI3K p110? isoform. Interaction-based scoring of the predicted binding poses served to further prioritise the virtual fragment hits. Experimental screening confirmed potency for a total of 18 fragment inhibitors, belonging to five different structural classes.
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|
pubmed:language |
eng
|
|
pubmed:journal |
|
|
pubmed:citationSubset |
IM
|
|
pubmed:chemical |
|
|
pubmed:status |
MEDLINE
|
|
pubmed:month |
Jan
|
|
pubmed:issn |
1464-3405
|
|
pubmed:author |
|
|
pubmed:copyrightInfo |
Copyright © 2010 Elsevier Ltd. All rights reserved.
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|
pubmed:issnType |
Electronic
|
|
pubmed:day |
15
|
|
pubmed:volume |
21
|
|
pubmed:owner |
NLM
|
|
pubmed:authorsComplete |
Y
|
|
pubmed:pagination |
829-35
|
|
pubmed:meshHeading |
|
|
pubmed:year |
2011
|
|
pubmed:articleTitle |
Discovery of novel class 1 phosphatidylinositide 3-kinases (PI3K) fragment inhibitors through structure-based virtual screening.
|
|
pubmed:affiliation |
Lead Generation, AstraZeneca R&D Mölndal, Pepparedsleden 1, SE-431 83 Mölndal, Sweden. fabrizio.giordanetto@astrazeneca.com
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|
pubmed:publicationType |
Journal Article
|
