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Drug Discovery: Overview

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...

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Related Experiment Video

Updated: Jan 18, 2026

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

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

Published on: June 4, 2021

NMR-based screening methods for lead discovery.

Martin Vogtherr¹, Klaus Fiebig

¹Institut für Organische Chemie, Johann-Wolfgang von Goethe-Universität Frankfurt/Main, Marie-Curie Str. 11, D-60431 Frankfurt, Main, Germany.

|March 5, 2003

Summary

This summary is machine-generated.

Nuclear Magnetic Resonance (NMR) based screening offers diverse and robust methods for drug discovery, identifying medium affinity ligands. Advances in NMR technology are making these techniques high-throughput and valuable for structural insights.

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Last Updated: Jan 18, 2026

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

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Kinetic Screening of Nuclease Activity using Nucleic Acid Probes

Published on: November 1, 2019

Area of Science:

Biochemistry
Medicinal Chemistry
Structural Biology

Background:

Nuclear Magnetic Resonance (NMR) based screening is increasingly vital in drug discovery.
NMR techniques offer robust and diverse approaches for identifying potential drug candidates.
These methods provide detailed structural information crucial for drug design.

Purpose of the Study:

To review and compare various NMR-based screening methods for drug discovery.
To highlight the applicability and limitations of different NMR techniques for various targets.
To discuss the potential of NMR screening as a high-throughput method.

Main Methods:

Structure-Activity Relationship by NMR (SAR by NMR) for small protein targets.
15N-1H-TROSY and 15N-1H-HSQC based screening for protein targets.
Ligand-based NMR screening methods for targets of any size.
Transfer NOE and isotope-filtered NOESY for ligand conformation and binding site information.

Main Results:

SAR by NMR is effective for targets < 30 kDa, providing binding site location.
15N-1H-HSQC screening, enhanced by cryo-cooled probes, is now a high-throughput method.
Ligand-based NMR screening detects ligands with millimolar to micromolar affinities and can be used as a prescreening tool.
NMR provides detailed structural data, connecting experimental screening with computational drug design.

Conclusions:

NMR-based screening is a powerful and versatile tool in modern drug discovery.
Advancements in NMR instrumentation are enabling high-throughput screening capabilities.
NMR's ability to provide detailed structural information aids in ligand design and optimization.