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Applications Of NMR In Biology01:25

Applications Of NMR In Biology

Nuclear magnetic resonance (NMR) spectroscopy is a very valuable analytical technique for researchers. It has been used for more than 50 years as an analytical tool. F. Bloch and E. Purcell formulated NMR in 1946 and won the 1952 Nobel Prize in Physics  for their work. Biological macromolecules such as proteins, nucleic acids, lipids, and organic molecules including pharmaceutical compounds, can be studied using this versatile tool that exploits the magnetic properties of certain nuclei.
The...
Two-Dimensional (2D) NMR: Overview01:12

Two-Dimensional (2D) NMR: Overview

The 1D NMR spectrum of large and complex molecules like natural products has complicated splitting patterns and overlapping signals, which can be easily interpreted using 2-dimensional (2D) NMR. Unlike 1D NMR, 2D NMR has two frequency axes that provide the coupling information between the nucleus A and nucleus B in a molecule. The process from which 2D spectra are obtained has four steps.
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse.
NMR Spectroscopy of Aromatic Compounds01:14

NMR Spectroscopy of Aromatic Compounds

Aromatic compounds can be identified or analyzed using proton NMR and carbon‐13 NMR. Typically, aromatic hydrogens or hydrogens directly bonded to the aromatic rings are strongly deshielded by the aromatic ring current. Therefore, they absorb in the range of 6.5–8.0 ppm in proton NMR spectra. For instance, aromatic hydrogens directly bonded to the benzene ring absorb at 7.3 ppm. However, aromatic hydrogens of larger rings absorb farther upfield or downfield than the ideal range. Consider...
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
Drug Discovery: Overview01:26

Drug Discovery: Overview

Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
2D NMR: Overview of Heteronuclear Correlation Techniques01:18

2D NMR: Overview of Heteronuclear Correlation Techniques

Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other axis.

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Related Experiment Video

Updated: May 11, 2026

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
09:19

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode

Published on: June 4, 2021

Fragment-based drug discovery using NMR spectroscopy.

Mary J Harner1, Andreas O Frank, Stephen W Fesik

  • 1Department of Biochemistry, Vanderbilt University School of Medicine, 2215 Garland Ave, 607 Light Hall, Nashville, TN 37232-0146, USA.

Journal of Biomolecular NMR
|May 21, 2013
PubMed
Summary

Nuclear magnetic resonance (NMR) spectroscopy is a powerful technique for fragment-based drug discovery. It reliably identifies small molecules that bind to proteins, aiding in the development of novel therapeutics.

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Last Updated: May 11, 2026

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
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Published on: June 4, 2021

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery
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Area of Science:

  • Biochemistry
  • Chemical Biology
  • Structural Biology

Background:

  • Nuclear magnetic resonance (NMR) spectroscopy is traditionally used for determining the 3D structures and dynamics of biomacromolecules.
  • NMR has emerged as a valuable technique in drug discovery over the past 20 years.

Purpose of the Study:

  • To describe the application of NMR spectroscopy in fragment-based drug discovery.
  • To outline effective strategies for utilizing NMR in identifying novel therapeutic candidates.

Main Methods:

  • Utilizing NMR spectroscopy for the identification of small molecules binding to proteins.
  • Applying NMR for hit-to-lead optimization in drug discovery.

Main Results:

  • NMR spectroscopy reliably identifies small molecules with therapeutic potential.
  • NMR facilitates the optimization of initial drug leads.

Conclusions:

  • NMR spectroscopy is a versatile and effective method for fragment-based drug discovery.
  • This approach accelerates the identification and development of novel therapeutics.