Synergistic Use of Virtual Screening and Biophysical Methods for the Protein-Based Design of Peptidomimetics
Keywords:Circular dichroism, Fluorescence polarization, Peptidomimetic, Pharmaceutical chemistry, Virtual screening
AbstractCombining 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.
How to Cite
D. Rognan, C. Bissantz, S. Dédier, A. Logean, S. Reinelt, Chimia 2000, 54, 658, DOI: 10.2533/chimia.2000.658.
Copyright (c) 2000 Swiss Chemical Society
This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.