caa a22 4500 467938989 CHVBK 20180406153006.0 cr unu---uuuuu 170328e20060201xx s 000 0 eng 10.1007/s10822-006-9040-8 doi (NATIONALLICENCE)springer-10.1007/s10822-006-9040-8 Development of small molecules designed to modulate protein-protein interactions [Elektronische Daten] [Ye Che, Bernard Brooks, Garland Marshall] Summary: Protein-protein interactions are ubiquitous, essential to almost all known biological processes, and offer attractive opportunities for therapeutic intervention. Developing small molecules that modulate protein-protein interactions is challenging, owing to the large size of protein-complex interface, the lack of well-defined binding pockets, etc. We describe a general approach based on the "privileged-structure hypothesis” [Che, Ph.D. Thesis, Washington University, 2003] - that any organic templates capable of mimicking surfaces of protein-recognition motifs are potential privileged scaffolds as protein-complex antagonists - to address the challenges inherent in the discovery of small-molecule inhibitors of protein-protein interactions. Springer Science+Business Media, Inc., 2006 conformational analysis nationallicence drug design nationallicence peptidomimetics nationallicence protein-protein interaction nationallicence protein-surface mimetics nationallicence privileged scaffold nationallicence template design nationallicence Che Ye Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health, 20892, Bethesda, MD, USA aut Brooks Bernard Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health, 20892, Bethesda, MD, USA aut Marshall Garland Center for Computational Biology and Department of Biochemistry and Molecular Biophysics, Washington University, 63110, St Louis, MO, USA aut Journal of Computer-Aided Molecular Design Springer Netherlands 20/2(2006-02-01), 109-130 0920-654X 20:2<109 2006 20 10822 https://doi.org/10.1007/s10822-006-9040-8 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10822-006-9040-8 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Che Ye Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health, 20892, Bethesda, MD, USA aut NATIONALLICENCE 700 1- Brooks Bernard Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health, 20892, Bethesda, MD, USA aut NATIONALLICENCE 700 1- Marshall Garland Center for Computational Biology and Department of Biochemistry and Molecular Biophysics, Washington University, 63110, St Louis, MO, USA aut NATIONALLICENCE 773 0- Journal of Computer-Aided Molecular Design Springer Netherlands 20/2(2006-02-01), 109-130 0920-654X 20:2<109 2006 20 10822 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer