title: On the possibility of using polycrystalline material in the development of structure-based generic assays.
abstract: The discovery of ligands that bind specifically to a targeted protein benefits from the development of generic assays for high-throughput screening of a library of chemicals. Protein powder diffraction (PPD) has been proposed as a potential method for use as a structure-based assay for high-throughput screening applications. Building on this effort, powder samples of bound/unbound states of soluble hen-egg white lysozyme precipitated with sodium chloride were compared. The correlation coefficients calculated between the raw diffraction profiles were consistent with the known binding properties of the ligands and suggested that the PPD approach can be used even prior to a full description using stereochemically restrained Rietveld refinement.
authors.affiliation: National Synchrotron Light Source, Brookhaven National Laboratory, Upton, NY 11973-5000, USA. allaire@bnl.gov
authors.forename: Marc
authors.initials: M
authors.lastname: Allaire
authors.forename: Natalia
authors.initials: N
authors.lastname: Moiseeva
authors.forename: Cristian E
authors.initials: CE
authors.lastname: Botez
authors.forename: Matthew A
authors.initials: MA
authors.lastname: Engel
authors.forename: Peter W
authors.initials: PW
authors.lastname: Stephens
mesh_terms: D000117:Acetylglucosamine / Q000737:chemistry / Q000378:metabolism; D000818:Animals; D002645:Chickens; D003460:Crystallization; D018360:Crystallography, X-Ray / Q000379:methods*; D005947:Glucose / Q000737:chemistry / Q000378:metabolism; D008024:Ligands; D009113:Muramidase / Q000737:chemistry; D019151:Peptide Library; D011208:Powders; D011485:Protein Binding; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism; D013329:Structure-Activity Relationship
chemical_list: D008024:Ligands; D019151:Peptide Library; D011208:Powders; D011506:Proteins; D009113:Muramidase; D005947:Glucose; D000117:Acetylglucosamine