NMR Applications in Drug Discovery

Info:

Introduction to NMR applications used in pharmaceutical industry for QC, screening and mixture analysis.

Topics:

• Theory of fragment binding to biomolecular targets
• Ligand observed 1H and 19F NMR fragment screening experiments
• HSQC chemical shift perturbation mapping
• Data Analysis of NMR screening data
• Quality control of small-molecule libraries by CMCa
• Mixture analysis using ASSURENMR automation and robotics
• High-throughput acquisition softwarePreparation of customized parameter sets
• Sample Preparation for NMR screening

Remarks:

In lectures and practical sessions the concepts of 1D and 2D NMR experiments like waterLOGSY, Saturation Transfer Difference and relaxation based methods to probe for binding of small-molecules to biomolecular targets are elaborated. The participants will learn practical aspects of data analysis in small groups. Further topics are the use of CMCa and ASSURE for quality control of fragment libraries and mixture analysis. In most cases, the above applications are run in high-throughput with appropriate automation routines and robotics which will be introduced to the participants during hands-on sessions. Lectures about the theory of fragment binding to biomolecular targets in the context of the NMR time scale complete the program.

The broad scope of the training course makes it a perfect introduction for 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 in the above topics

Dates:

September 6^th-8^th, 2017

Location: