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

Von Dreele, Robert B.; D'Amico, Kevin

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

Patent · 31 October 2006

OSTI ID:1175976

Von Dreele, Robert B.; D'Amico, Kevin

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.

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Research Organization:: Los Alamos National Security, LLC, Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: W-7405-ENG-36

Assignee:: Los Alamos National Security, LLC (Los Alamos, NM)

Patent Number(s):: 7,130,747

Application Number:: 09/871,527

OSTI ID:: 1175976

Country of Publication:: United States

Language:: English

References (20)

Affinity Capillary Electrophoresis−Mass Spectrometry for Screening Combinatorial Libraries Chu, Yen-Ho; Dunayevskiy, Yuriy M.; Kirby, Daniel P. Journal of the American Chemical Society, Vol. 118, Issue 33 https://doi.org/10.1021/ja960213h	journal	January 1996
Guest Editorial Czarnik, Anthony W. Accounts of Chemical Research, Vol. 29, Issue 3 https://doi.org/10.1021/ar950256n	journal	January 1996
Combined Rietveld and stereochemical restraint refinement of a protein crystal structure Von Dreele, R. B. Journal of Applied Crystallography, Vol. 32, Issue 6 https://doi.org/10.1107/S002188989901064X	journal	December 1999
Lessons from the Immune System: From Catalysis to Materials Science Hsieh-Wilson, Linda C.; Xiang, Xiao-Dong; Schultz, Peter G. Accounts of Chemical Research, Vol. 29, Issue 3 https://doi.org/10.1021/ar950247e	journal	January 1996
X-ray crystallographic studies of protein–ligand interactions Palmer, R. A.; Niwa, H. Biochemical Society Transactions, Vol. 31, Issue 5 https://doi.org/10.1042/bst0310973	journal	October 2003
Scintillation proximity assay: A sensitive and continuous isotopic method for monitoring ligand/receptor and antigen/antibody interactions Udenfriend, Sidney; Gerber, Louise; Nelson, Nathan Analytical Biochemistry, Vol. 161, Issue 2 https://doi.org/10.1016/0003-2697(87)90479-9	journal	March 1987
Multiple-Component Condensation Strategies for Combinatorial Library Synthesis Armstrong, Robert W.; Combs, Andrew P.; Tempest, Paul A. Accounts of Chemical Research, Vol. 29, Issue 3 https://doi.org/10.1021/ar9502083	journal	January 1996
MEED : a program package for electron-density-distribution calculation by the maximum-entropy method Kumazawa, S.; Kubota, Y.; Takata, M. Journal of Applied Crystallography, Vol. 26, Issue 3 https://doi.org/10.1107/S0021889892012883	journal	June 1993
Combinatorial Organic Synthesis Using Parke-Davis's DIVERSOMER Method DeWitt, Sheila Hobbs; Czarnik, Anthony W. Accounts of Chemical Research, Vol. 29, Issue 3 https://doi.org/10.1021/ar950209v	journal	January 1996
Chapter 28. Applications of NMR Spectroscopy to Protein Structure Determination Jefson, Martin R. Annual Reports in Medicinal Chemistry https://doi.org/10.1016/S0065-7743(08)60856-8	book	January 1988
X-ray Sources and Detectors Drenth, Jan Principles of Protein X-ray Crystallography https://doi.org/10.1007/978-1-4757-3092-0_2	book	January 1999
Discovery of Sequence-Selective Peptide Binding by Synthetic Receptors Using Encoded Combinatorial Libraries Still, W. Clark Accounts of Chemical Research, Vol. 29, Issue 3 https://doi.org/10.1021/ar950166i	journal	January 1996
Kinetic analysis of monoclonal antibody-antigen interactions with a new biosensor based analytical system Karlsson, Robert; Michaelsson, Anne; Mattsson, Lars Journal of Immunological Methods, Vol. 145, Issue 1-2 https://doi.org/10.1016/0022-1759(91)90331-9	journal	December 1991
Strategy and Tactics in Combinatorial Organic Synthesis. Applications to Drug Discovery Gordon, E. M.; Gallop, M. A.; Patel, D. V. Accounts of Chemical Research, Vol. 29, Issue 3 https://doi.org/10.1021/ar950170u	journal	January 1996
Chapter 29. Macromolecular X-Ray Crystallography and NMR as Tools for Structure-based Drug Design Erickson, John W.; Fesik, Stephen W. Annual Reports in Medicinal Chemistry https://doi.org/10.1016/S0065-7743(08)60427-3	book	January 1992
Design, Synthesis, and Evaluation of Small-Molecule Libraries Ellman, Jonathan A. Accounts of Chemical Research, Vol. 29, Issue 3 https://doi.org/10.1021/ar950190w	journal	January 1996
X-Ray and Crystallographic Studies of Plant Virus Preparations. iii Bernal, J. D.; Fankuchen, I. The Journal of General Physiology, Vol. 25, Issue 1 https://doi.org/10.1085/jgp.25.1.147	journal	September 1941
11. Neutron Powder Diffraction Von Dreele, R. B. Modern Powder Diffraction https://doi.org/10.1515/9781501509018-014	book	December 1989
An amyloid-forming peptide from the yeast prion Sup35 reveals a dehydrated -sheet structure for amyloid Balbirnie, M.; Grothe, R.; Eisenberg, D. S. Proceedings of the National Academy of Sciences, Vol. 98, Issue 5 https://doi.org/10.1073/pnas.041617698	journal	February 2001
A note on the heavy-atom method Sim, G. A. Acta Crystallographica, Vol. 13, Issue 6 https://doi.org/10.1107/S0365110X60001266	journal	June 1960

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