skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: High throughput screening of ligand binding to macromolecules using high resolution powder diffraction

Abstract

A process is provided for the high throughput screening of binding of ligands to macromolecules using high resolution powder diffraction data including producing a first sample slurry of a selected polycrystalline macromolecule material and a solvent, producing a second sample slurry of a selected polycrystalline macromolecule material, one or more ligands and the solvent, obtaining a high resolution powder diffraction pattern on each of said first sample slurry and the second sample slurry, and, comparing the high resolution powder diffraction pattern of the first sample slurry and the high resolution powder diffraction pattern of the second sample slurry whereby a difference in the high resolution powder diffraction patterns of the first sample slurry and the second sample slurry provides a positive indication for the formation of a complex between the selected polycrystalline macromolecule material and at least one of the one or more ligands.

Inventors:
;
Publication Date:
Research Org.:
Los Alamos National Security, LLC, Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1175976
Patent Number(s):
7,130,747
Application Number:
09/871,527
Assignee:
Los Alamos National Security, LLC (Los Alamos, NM)
DOE Contract Number:  
W-7405-ENG-36
Resource Type:
Patent
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES

Citation Formats

Von Dreele, Robert B., and D'Amico, Kevin. High throughput screening of ligand binding to macromolecules using high resolution powder diffraction. United States: N. p., 2006. Web.
Von Dreele, Robert B., & D'Amico, Kevin. High throughput screening of ligand binding to macromolecules using high resolution powder diffraction. United States.
Von Dreele, Robert B., and D'Amico, Kevin. 2006. "High throughput screening of ligand binding to macromolecules using high resolution powder diffraction". United States. https://www.osti.gov/servlets/purl/1175976.
@article{osti_1175976,
title = {High throughput screening of ligand binding to macromolecules using high resolution powder diffraction},
author = {Von Dreele, Robert B. and D'Amico, Kevin},
abstractNote = {A process is provided for the high throughput screening of binding of ligands to macromolecules using high resolution powder diffraction data including producing a first sample slurry of a selected polycrystalline macromolecule material and a solvent, producing a second sample slurry of a selected polycrystalline macromolecule material, one or more ligands and the solvent, obtaining a high resolution powder diffraction pattern on each of said first sample slurry and the second sample slurry, and, comparing the high resolution powder diffraction pattern of the first sample slurry and the high resolution powder diffraction pattern of the second sample slurry whereby a difference in the high resolution powder diffraction patterns of the first sample slurry and the second sample slurry provides a positive indication for the formation of a complex between the selected polycrystalline macromolecule material and at least one of the one or more ligands.},
doi = {},
url = {https://www.osti.gov/biblio/1175976}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Oct 31 00:00:00 EST 2006},
month = {Tue Oct 31 00:00:00 EST 2006}
}

Works referenced in this record:

Lessons from the Immune System:  From Catalysis to Materials Science
journal, January 1996


MEED : a program package for electron-density-distribution calculation by the maximum-entropy method
journal, June 1993


X-Ray and Crystallographic Studies of Plant Virus Preparations. iii
journal, September 1941


Strategy and Tactics in Combinatorial Organic Synthesis. Applications to Drug Discovery
journal, January 1996


A note on the heavy-atom method
journal, June 1960


Combined Rietveld and stereochemical restraint refinement of a protein crystal structure
journal, December 1999


Design, Synthesis, and Evaluation of Small-Molecule Libraries
journal, January 1996


Kinetic analysis of monoclonal antibody-antigen interactions with a new biosensor based analytical system
journal, December 1991


11. Neutron Powder Diffraction
book, December 1989


X-ray Sources and Detectors
book, January 1999


Chapter 29. Macromolecular X-Ray Crystallography and NMR as Tools for Structure-based Drug Design
book, January 1992


X-ray crystallographic studies of protein–ligand interactions
journal, October 2003


Affinity Capillary Electrophoresis−Mass Spectrometry for Screening Combinatorial Libraries
journal, January 1996


An amyloid-forming peptide from the yeast prion Sup35 reveals a dehydrated  -sheet structure for amyloid
journal, February 2001


Multiple-Component Condensation Strategies for Combinatorial Library Synthesis
journal, January 1996


Guest Editorial
journal, January 1996


Combinatorial Organic Synthesis Using Parke-Davis's DIVERSOMER Method
journal, January 1996