Author： Rognan Didier Bissantz Caterina Dédier Séverine Logean Antoine Reinelt Stefan
Publisher： Swiss Chemical Society
ISSN： 0009-4293
Source： CHIMIA International Journal for Chemistry, Vol.54, Iss.11, 2000-11, pp. : 658-662
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Abstract
Combining virtual screening with biophysical studies of protein-ligand complexes is an effective tool for designing new peptidomimetics. When a three-dimensional structure of the target protein is known, automated docking of chemical databases can be used as a powerful filter to reduce the number of molecules that will be further tested. Easy screening of potential hits can then be performed using fluorescence polarization techniques, if a fluorescent-labeled ligand already exists for the target. In addition, thermodynamic properties of protein-ligand complexes can be measured by circular dichroism spectroscopy.
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