1268157-52-3Relevant academic research and scientific papers
Development of non-peptide ligands of growth factor receptor-bound protein 2-src homology 2 domain using molecular modeling and NMR spectroscopy
Orcajo-Rincón, ángel L.,Ortega-Gutiérrez, Silvia,Serrano, Pedro,Torrecillas, Ivan R.,Wüthrich, Kurt,Campillo, Mercedes,Pardo, Leonardo,Viso, Alma,Benhamú, Bellinda,López-Rodríguez, María L.
, p. 1096 - 1100 (2011/04/26)
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 (IC50 = 56 μM), 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.
