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Related Concept Videos

Nuclear Overhauser Enhancement (NOE)01:06

Nuclear Overhauser Enhancement (NOE)

Irradiation of a spin-active nucleus causes an increase or decrease in the signal intensity of neighboring nuclei that are not necessarily chemically bonded or involved in J-coupling. This phenomenon, called the nuclear Overhauser enhancement (NOE), results from through-space interactions between the nuclear spins. The NOE effect decreases with increasing internuclear distance and is generally not observed beyond 4 angstroms. In NOE, dipole-dipole interactions between neighboring spin-active...
Atomic Nuclei: Nuclear Relaxation Processes01:23

Atomic Nuclei: Nuclear Relaxation Processes

In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis,  the precessing magnetic moments are randomly oriented around the z-axis. This...
Nuclear Transmutation03:20

Nuclear Transmutation

Nuclear transmutation is the conversion of one nuclide into another. It can occur by the radioactive decay of a nucleus, or the reaction of a nucleus with another particle. The first manmade nucleus was produced in Ernest Rutherford’s laboratory in 1919 by a transmutation reaction, the bombardment of one type of nuclei with other nuclei or with neutrons. Rutherford bombarded nitrogen-14 atoms with high-speed α particles from a natural radioactive isotope of radium and observed protons being...
Atomic Nuclei: Magnetic Resonance01:05

Atomic Nuclei: Magnetic Resonance

The number of nuclear spins aligned in the lower energy state is slightly greater than those in the higher energy state. In the presence of an external magnetic field, as the spins precess at the Larmor frequency, the excess population results in a net magnetization oriented along the z axis. When a pulse or a short burst of radio waves at the Larmor frequency is applied along the x axis, the coupling of frequencies causes resonance and flips the nuclear spins of the excess population from the...
Nuclear Stability03:18

Nuclear Stability

Protons and neutrons, collectively called nucleons, are packed together tightly in a nucleus. With a radius of about 10−15 meters, a nucleus is quite small compared to the radius of the entire atom, which is about 10−10 meters. Nuclei are extremely dense compared to bulk matter, averaging 1.8 × 1014 grams per cubic centimeter. If the earth’s density were equal to the average nuclear density, the earth’s radius would be only about 200 meters.
To hold positively charged protons together in the...
Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.

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Related Experiment Video

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Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
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Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

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The Nuclear Overhauser Effect in the lead identification process.

Marilisa Leone1, Hudson H Freeze, Chui Sien Chan

  • 1Burnham Institute for Medical Research, 10901 North Torrey Pines Road, La Jolla, CA 92037, USA.

Current Drug Discovery Technologies
|August 24, 2006
PubMed
Summary

Nuclear Magnetic Resonance (NMR) spectroscopy, specifically transferred Nuclear Overhauser Effect (tr-NOE), aids drug discovery by identifying protein binders and their conformations. This technique enables the screening of compound mixtures and the development of pharmacophore models for novel drug candidates.

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Area of Science:

  • Biochemistry
  • Structural Biology
  • Medicinal Chemistry

Background:

  • Nuclear Magnetic Resonance (NMR) spectroscopy is increasingly vital in drug discovery.
  • Various NMR techniques are employed for identifying and optimizing protein binders.
  • Transferred Nuclear Overhauser Effect (tr-NOE) offers binding and structural insights into ligand-protein interactions.

Purpose of the Study:

  • To review the principles and applications of transferred Nuclear Overhauser Effect (tr-NOE) measurements.
  • To highlight tr-NOE's utility in screening for protein ligands and identifying simultaneous binders.
  • To demonstrate tr-NOE's role in determining peptide-ligand conformations and generating pharmacophore models for drug design.

Main Methods:

  • Utilizing transferred Nuclear Overhauser Effect (tr-NOE) for ligand screening.
  • Applying tr-NOE to detect interligand interactions on protein targets.
  • Employing tr-NOE to derive distance constraints for peptide-ligand structure determination.
  • Generating pharmacophore models from determined conformations for database searching.

Main Results:

  • tr-NOE successfully identifies ligands binding to target proteins within compound mixtures.
  • The technique can detect simultaneous binding of molecules to adjacent protein sites.
  • tr-NOE provides crucial distance constraints for elucidating bioactive peptide-ligand conformations.
  • Pharmacophore models derived from tr-NOE data facilitate the discovery of novel non-peptide drug candidates.

Conclusions:

  • Transferred Nuclear Overhauser Effect (tr-NOE) is a versatile NMR technique in drug discovery.
  • tr-NOE aids in ligand identification, binding mode elucidation, and conformational analysis.
  • The application of tr-NOE extends to the rational design of new therapeutic agents through pharmacophore modeling.