scholarly journals Fragment Screening by Surface Plasmon Resonance

2010 ◽  
Vol 1 (1) ◽  
pp. 44-48 ◽  
Author(s):  
Iva Navratilova ◽  
Andrew L. Hopkins
Keyword(s):  
Surface Plasmon Resonance ◽  
Surface Plasmon ◽  
Plasmon Resonance ◽  
Fragment Screening

Fragment Screening for the Modelling Community: SPR, ITC, and Crystallography

2013 ◽  
Vol 66 (12) ◽  
pp. 1507 ◽  
Author(s):  
Olan Dolezal ◽  
Larissa Doughty ◽  
Meghan K. Hattarki ◽  
Vincent J. Fazio ◽  
Tom T. Caradoc-Davies ◽  
...  
Keyword(s):  
Surface Plasmon Resonance ◽  
Isothermal Titration Calorimetry ◽  
Surface Plasmon ◽  
Plasmon Resonance ◽  
Titration Calorimetry ◽  
Small Fragment ◽  
Fragment Screening ◽  
Bovine Trypsin ◽  
Fragment Library ◽  
Biochemical Systems

The SAMPL (Statistical Assessment of the Modelling of Proteins and Ligands) challenge brought together experimentalists and modellers in an effort to improve our understanding of chemical and biochemical systems so better modelling tools can be developed. The most recent challenge, SAMPL3, held at Stanford University in August 2011, was an attempt to improve the methods used to predict how small fragment compounds bind to proteins, and the protein chosen for this test was bovine trypsin. Surface plasmon resonance was used to screen 500 compounds from a Maybridge fragment library and these compounds were subsequently used to soak crystals of trypsin and the best hits were also characterised by isothermal titration calorimetry. We present methods used for the surface plasmon resonance and the isothermal titration calorimetry experiments, as well as the results for these methods and those compounds that were found in the crystal structures.

scholarly journals Fragment-Based Screening Using Surface Plasmon Resonance Technology

2009 ◽  
Vol 14 (4) ◽  
pp. 337-349 ◽  
Author(s):  
Samantha Perspicace ◽  
David Banner ◽  
Jörg Benz ◽  
Francis Müller ◽  
Daniel Schlatter ◽  
...  
Keyword(s):  
Surface Plasmon Resonance ◽  
Surface Plasmon ◽  
Plasmon Resonance ◽  
Active Site ◽  
Binding Activity ◽  
Molecular Weights ◽  
Fragment Screening ◽  
Screening Experiments ◽  
Compound Collection ◽  
Unspecific Binding

Surface plasmon resonance (SPR) technology has emerged as a new and powerful technique to investigate the interaction between low-molecular-weight molecules and target proteins. In the present work, the authors assemble from a large compound collection a library of 2226 molecules (fragments having low molecular weights between 100 and 300 Da) to screen them for binding to chymase, a serine protease. Both the active chymase and a zymogen-like form of the protein were used in parallel to distinguish between specific and unspecific binding. The relative ligand-binding activity of the immobilized protein was periodically measured with a reference compound. The screening experiments were performed at 25 °C at a fragment concentration of 200 µM in the presence of 2% DMSO. Applying the filter cascade, affinity—selectivity—competition (competition with reference compounds and cross-competition with fragments), 80 compounds show up as positive screening hits. Competition experiments between fragments show that they bind to different parts of the active site. Of 36 fragments co-crystallized for X-ray studies, 12 could be located in the active site of the protein. These results validate the authors' library and demonstrate that the application of SPR technology as a filter in fragment screening can be achieved successfully. ( Journal of Biomolecular Screening. 2009:337-349)

scholarly journals Label Free Fragment Screening Using Surface Plasmon Resonance as a Tool for Fragment Finding – Analyzing Parkin, a Difficult CNS Target

PLoS ONE ◽  
2013 ◽  
Vol 8 (7) ◽  
pp. e66879 ◽  
Author(s):  
Karin Regnström ◽  
Jiangli Yan ◽  
Lan Nguyen ◽  
Kari Callaway ◽  
Yanli Yang ◽  
...  
Keyword(s):  
Surface Plasmon Resonance ◽  
Surface Plasmon ◽  
Plasmon Resonance ◽  
Label Free ◽  
Fragment Screening
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