Streamlined Workflow for Fragment Based Screening by NMR

During this webinar, we will demonstrate an all-around solution for Fragment Based Screening (FBS) by linking Bruker’s automated data acquisition methods and MestreLab’s automated data analysis software tools. This combination includes:

1) A quality check of the fragment library by automated structure verification and qNMR tests using the reference spectra, and identification of any compounds that have suspicious quality, identity, or have low solubility
2) Pooling of fragments into optimized cocktails through minimization of peak overlap
3) Automated acquisition and visualization of 1H or 19F FBS NMR experiment screening data
4) Batch processing and automated analysis of FBS spectra to identify hits, and automated analysis of 2D chemical shift perturbation spectra to calculate Kd.

For every stage of the workflow, software tools are also provided to enable manual verification of the automation results.

In this webinar, Fabrice Moriaud, Ph.D. from Bruker BioSpin and Mitcheel Maestre Martinez, Ph.D. from MestreLab Research will outline the integration of Bruker’s Fragment-Based Screening (FBS) solution with Mestrelab’s Screen software. This combination provides drug discovery groups with an integrated experience from data acquisition and analysis to the identification of hits in FBS-by-NMR campaigns. Practical aspects will be emphasized.

• NMR based strategy to accelerate lead discovery with confidence
• Complete tool box for fragment based screening by NMR
• Fully Automated workflow, from spectal acquisition through to results

This webinar will be of interest to anyone working in drug discovery, whether it be in the pharmaceutical industry, contract research organizations or academia, including those with no prior experience in FBS.