Biophysical techniques for ligand screening and drug design.
Biophysical methods are currently involved in drug design in two ways: the qualitative detection of small molecule binding to a target (hit identification), and the quantitative determination of physical parameters associated to binding (hit-to-lead progression). In the first case, efforts have been made toward miniaturization, automation, and speed-up of the screening process allowing a higher throughput. In the second one, sophisticated applications have been developed to derive detailed relevant information. Preferably, several methods are used in combination to avoid bias and/or limitations associated with a single one, often together with computational methods. New developments should allow important systems overlooked so far to be studied: membrane proteins, intrinsically unstructured proteins, as well as in-cell studies.
Renaud
Jean-Paul
JP
Département de Biologie et Génomique Structurales, Institut de Génétique et de Biologie Moléculaire et Cellulaire UMR7104 CNRS-UDS, INSERM U964, 67404 Illkirch, France. jpr@igbmc.fr
Delsuc
Marc-André
MA
D000818:Animals; D057205:Automation, Laboratory; D001665:Binding Sites; D001703:Biophysics; D019295:Computational Biology; D015195:Drug Design; D057166:High-Throughput Screening Assays; D006801:Humans; D008024:Ligands; D008904:Miniaturization; D015394:Molecular Structure; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism; D040901:Proteomics; D013329:Structure-Activity Relationship
D008024:Ligands; D011506:Proteins