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Related Concept Videos

X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal crystal...
Determination of Crystal Structures01:29

Determination of Crystal Structures

In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...
X-ray Crystallography02:18

X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...

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Related Experiment Video

Updated: May 31, 2026

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
08:35

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

Published on: May 29, 2021

Fragment screening using X-ray crystallography.

Thomas G Davies1, Ian J Tickle

  • 1Astex Therapeutics Ltd, Cambridge, CB4 0QA, UK. t.davies@astex-therapeutics.com

Topics in Current Chemistry
|June 17, 2011
PubMed
Summary
This summary is machine-generated.

Fragment-based drug discovery is enhanced by sensitive biophysical methods. X-ray crystallography, once slow, now offers rapid screening for drug development, providing crucial structural insights.

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Related Experiment Videos

Last Updated: May 31, 2026

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
08:35

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

Published on: May 29, 2021

Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin
06:29

Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin

Published on: March 3, 2021

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery
06:26

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery

Published on: May 16, 2021

Area of Science:

  • Drug discovery and development
  • Structural biology
  • Biophysics

Background:

  • Fragment-based drug discovery (FBDD) is a key strategy in modern pharmaceuticals.
  • Biophysical techniques are essential for detecting weak molecular binding in drug discovery.
  • X-ray crystallography's potential for fragment screening was historically limited by low throughput.

Purpose of the Study:

  • To discuss the benefits of using X-ray crystallography for fragment screening.
  • To describe technical advancements enabling routine crystallographic screening.
  • To highlight the impact of rapid structural information on drug discovery projects.

Main Methods:

  • Fragment screening using X-ray crystallography.
  • Development of high-throughput crystallographic techniques.
  • Integration of structural biology into pharmaceutical research.

Main Results:

  • X-ray crystallography has been optimized for sensitive detection of weak molecular binders.
  • Technical improvements have made crystallographic fragment screening practical and routine.
  • This approach increases the utility of crystallography in the pharmaceutical industry.

Conclusions:

  • X-ray crystallography is a powerful tool for fragment-based drug discovery.
  • Advancements have overcome previous throughput limitations.
  • Timely structural data accelerates and optimizes drug development projects.