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rdf:type |
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lifeskim:mentions |
umls-concept:C0018284,
umls-concept:C0023688,
umls-concept:C0033684,
umls-concept:C0600115,
umls-concept:C0877853,
umls-concept:C1334043,
umls-concept:C1514562,
umls-concept:C1527148,
umls-concept:C1880389,
umls-concept:C1883204,
umls-concept:C1883221,
umls-concept:C2697616
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pubmed:issue |
4
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pubmed:dateCreated |
2011-2-17
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pubmed:abstractText |
We report a novel series of non-peptide ligands that inhibit the growth factor receptor-bound protein 2 (Grb2)-Src homology 2 (SH2) domain binding, designed using a combined computational and NMR-driven approach. We have identified a new lead compound, 1n (IC(50) = 56 ?M), which is cytotoxic in HER2-positive breast cancer cells and disrupts the interaction between HER2 and Grb2. Thus, 1n can be used as a scaffold for the development of efficient Grb2-SH2 domain binding inhibitors.
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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 |
Feb
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pubmed:issn |
1520-4804
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pubmed:author |
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pubmed:issnType |
Electronic
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pubmed:day |
24
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pubmed:volume |
54
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
1096-100
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pubmed:meshHeading |
pubmed-meshheading:21271718-Antineoplastic Agents,
pubmed-meshheading:21271718-Binding, Competitive,
pubmed-meshheading:21271718-Breast Neoplasms,
pubmed-meshheading:21271718-Cell Line, Tumor,
pubmed-meshheading:21271718-Cell Survival,
pubmed-meshheading:21271718-Dose-Response Relationship, Drug,
pubmed-meshheading:21271718-Female,
pubmed-meshheading:21271718-GRB2 Adaptor Protein,
pubmed-meshheading:21271718-Humans,
pubmed-meshheading:21271718-Ligands,
pubmed-meshheading:21271718-Magnetic Resonance Spectroscopy,
pubmed-meshheading:21271718-Models, Molecular,
pubmed-meshheading:21271718-Receptor, erbB-2,
pubmed-meshheading:21271718-src Homology Domains
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pubmed:year |
2011
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pubmed:articleTitle |
Development of non-peptide ligands of growth factor receptor-bound protein 2-SRC homology 2 domain using molecular modeling and NMR spectroscopy.
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pubmed:affiliation |
Departamento de Qui?mica Orga?nica I, Facultad de Ciencias Qui?micas, Universidad Complutense de Madrid, E-28040 Madrid, Spain.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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