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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
5
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pubmed:dateCreated |
2008-3-7
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pubmed:abstractText |
Results from molecular docking calculations and Grid mapping laid the foundations for a structure-based optimization approach to improve the biological properties of pyrazolo-pyrimidine derivatives in terms of inhibition of Abl enzymatic activity and antiproliferative properties toward human leukemia cells. Insertion of halogen substituents with various substitution patterns, suggested by simulations, led to a significant improvement of leukemia cell growth inhibition and to an increase up to 1 order of magnitude of the affinity toward Abl.
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pubmed:language |
eng
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pubmed:journal |
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pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
Mar
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pubmed:issn |
0022-2623
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pubmed:author |
pubmed-author:BondavalliFrancescoF,
pubmed-author:BottaMaurizioM,
pubmed-author:BrulloChiaraC,
pubmed-author:BrunoOlgaO,
pubmed-author:CarraroFabioF,
pubmed-author:ChelliBeatriceB,
pubmed-author:CrespanEmmanueleE,
pubmed-author:MagaGiovanniG,
pubmed-author:MagnaniMatteoM,
pubmed-author:ManettiFabrizioF,
pubmed-author:MartiniClaudiaC,
pubmed-author:MosciFrancescaF,
pubmed-author:NaldiniAntonellaA,
pubmed-author:SchenoneSilviaS,
pubmed-author:TrincavelliMaria LetiziaML
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pubmed:issnType |
Print
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pubmed:day |
13
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pubmed:volume |
51
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
1252-9
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pubmed:dateRevised |
2009-11-19
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pubmed:meshHeading |
pubmed-meshheading:18257513-Antineoplastic Agents,
pubmed-meshheading:18257513-Cell Line, Tumor,
pubmed-meshheading:18257513-Drug Screening Assays, Antitumor,
pubmed-meshheading:18257513-Fusion Proteins, bcr-abl,
pubmed-meshheading:18257513-Humans,
pubmed-meshheading:18257513-Leukemia,
pubmed-meshheading:18257513-Models, Molecular,
pubmed-meshheading:18257513-Protein-Tyrosine Kinases,
pubmed-meshheading:18257513-Pyrazoles,
pubmed-meshheading:18257513-Pyrimidines,
pubmed-meshheading:18257513-Structure-Activity Relationship
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pubmed:year |
2008
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pubmed:articleTitle |
Structure-based optimization of pyrazolo[3,4-d]pyrimidines as Abl inhibitors and antiproliferative agents toward human leukemia cell lines.
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pubmed:affiliation |
Dipartimento Farmaco Chimico Tecnologico, Università degli Studi di Siena, Via Alcide de Gasperi 2, I-53100, Siena, Italy.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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