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:

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

Issue Date:

2006-10-31

Research Org.:

Los Alamos National Security, LLC, Los Alamos, NM (United States)

Sponsoring Org.:

USDOE

OSTI Identifier:

1175976

Patent Number(s):

7130747

Application Number:

09/871,527

Assignee:

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

Patent Classifications (CPCs):

B - PERFORMING OPERATIONS B01 - PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL B01J - CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY

C - CHEMISTRY C40 - COMBINATORIAL TECHNOLOGY C40B - COMBINATORIAL CHEMISTRY

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B - PERFORMING OPERATIONS B01 - PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL B01J - CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY

B01J2219/00599 - Solution-phase processes
B01J2219/00702 - Processes involving means for analysing and characterising the products

C - CHEMISTRY C40 - COMBINATORIAL TECHNOLOGY C40B - COMBINATORIAL CHEMISTRY

C40B50/08 - Liquid phase synthesis, i.e. wherein all library building blocks are in liquid phase or in solution during library creation

G - PHYSICS G01 - MEASURING G01N - INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES

G01N2015/0096 - {Investigating consistence of powders, dustability, dustiness}
G01N23/20 - by using diffraction of the radiation by the materials, e.g. for investigating crystal structure

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DOE Contract Number:  

W-7405-ENG-36

Resource Type:

Patent

Country of Publication:

United States

Language:

English

Subject:

59 BASIC BIOLOGICAL SCIENCES