Lead Discovery

Unique, comprehensive portfolio of label-free screening and methodologies to increase the speed of lead discovery with confidence

Bruker offers innovative label-free screening techniques all the way from:

High-throughput screening

Ultra-high-throughput screening (uHTS) of large and diverse compound libraries by mass spectrometry offers throughput of more than 100.000 samples per day and the robustness to screen a full deck (primary screen) of compound libraries with millions of substances. rapifleX MPP is the only mass spectrometer in the market which steps up for primary screens.

rapifleX MPP equipped with plate autoloader and using disposable sample plates supporting 1536 and even higher density formats

Focused screening

Focused screens of smaller, enriched libraries become increasingly relevant in the time of computationally guided drug development. Mass Spectrometry delivers high-throughput with high data quality and makes  confirmation screens redundant. Furthermore focused screens are equally amenable by high-throughput Surface Plasmon Resonance which offers orthogonal information compared to NMR including specificity/selectivity, affinity and kinetic rate constants simultaneously.

SPR Sensorgram (Small Molecule of 200 Da binds 30 kDa Enzyme)

Fragment-based lead discovery

For screening of low-molecular weight compounds, which typically have low binding affinities and therefore require highest sensitivity,  Bruker offers an advanced portfolio of high-sensitive instrumentation to perform fragment-based screening: With SPR, NMR, Mass Spectrometry and of course X-ray crystallography Bruker offers an indispensable tool-set to advance fragment-based drug discovery (FBDD).

D8 DISCOVER HTS High-throughput XRD screening with automatic sample changer for up to 4 well plates

High-throughput chemical synthesis and binding assays screening

A recent new development of the rapifleX MPP solution provides enhanced flexibility and supports a variety of further HTS applications, where monitoring of large numbers of well-specific compounds is required:

High-Throughput synthesis screening allows to screen compounds derived from chemical synthesis at highest pace, therefore, it enables highly time-efficient surveying of chemical reactivity landscapes at previously unseen mapping depth.

Furthermore label-free binding assays by mass spectrometry are now equally possible at highest throughput and specificity.