NMR Screening Tools for Drug Discovery

Info:

Introduction to 1H- and 19F-detected NMR methods used in drug discovery for fragment-based screening (FBS) and quality control (QC) of compound libraries.

Topics:

• Theory of fragment binding to biomolecular targets
• Ligand observed 1H and 19F NMR experiments for fragment screening
• Bruker software for screening data analysis
• Quality control of small-molecule libraries
• Optimal hardware and NMR automation for high-throughput acquisition

Remarks:

The most commonly used 1D NMR experiments to probe for binding interactions of small-molecules to biomolecular targets are introduced in tutorial and practical sessions. The implementation and use of the FBS data analysis software will be practiced in small groups. Further, the use of Bruker CMC-q software for quality control of fragment libraries is shown. The FBS and QC applications are conducted in high-throughput mode with appropriate automation routines which will be introduced to the participants during practical sessions. Tutorials about the theory of fragment binding to biomolecular targets in the context of the NMR time scale complete the program.

This introductory course targets scientist from academia and industry with a background in chemistry, biology or biochemistry with interest in using NMR for the above applications.

Prerequisite Qualification:

Open to all AVANCE spectrometer users from academia and industry interested to learn above topics.

Dates:

October 14^th-16^th, 2020

Location: