Bruker Announces Innovative, High-Performance and Cost-Effective NMR Solutions for the Pharmaceutical Industry
20 April 2015 - 9:05PM
Business Wire
- Fragment-based Drug
Discovery
- Automated Small-molecule Structure
Verification
- On-the-fly Optimization of Pharma
Chemical Processes
- Pharma QC Raw Materials Screening,
and
- Pharma NMR Lab Connectivity
At the 56th Experimental Nuclear Magnetic Resonance Conference
(www.enc-conference.org), Bruker is showcasing several innovative
drug discovery, drug development and process control solutions for
small molecule NMR characterization in the pharmaceutical
industry.
Fragment-based Drug Discovery (FBDD) Screening and Lead
Optimization: In recent years, FBDD has emerged as an
alternative to traditional high throughput screening. The fragment
libraries are characterized by the small size of the compounds and
a smaller number of candidate molecules. This helps researchers to
identify those that may have initial weak-medium affinities for
binding to the desired protein targets, and then optimizing these
leads iteratively to obtain medium-strong binding affinities. At
each stage, fragment-protein interactions are detected by highly
sensitive NMR spectroscopy.
Bruker provides dedicated hardware and software for these FBDD
applications: The SampleJetTM high capacity sample
changer with cooled sample storage keeps the delicate biomolecular
samples from degrading, while at the same time providing maximum
throughput. The QCI-F CryoProbeTM is a fully
versatile, highly sensitive triple resonance probe with additional
fluorine capacity, enabling both, traditional proton- and novel
19F- detected FBDD capabilities. The CMC-q software ensures
the integrity and correct concentrations of the fragment libraries.
All these latest NMR tools together allow FBDD-by-NMR
screens and lead optimization to be performed in a routine and
partially automated manner.
Rapid, Automated Structure Verification Solution
FUSION-SV™: This new integrated solution for structure
verification allows users to easily combine high-resolution
accurate-mass (HRAM) mass spectrometry (MS), and complementary
Nuclear Magnetic Resonance (NMR) data. FUSION-SV provides
significantly increased specificity, robustness and throughput for
rapid, automated small molecule structure verification.
FUSION-SV is designed for the workflow of medicinal and
synthetic chemists in pharma, chemical industry or in academia.
The proprietary algorithms which deliver this improved
performance have been built into the FUSION-SV streamlined
workflow and user-friendly interface. The medicinal chemist is
guided straight to meaningful results with minimal interaction and
without the requirement for expert knowledge of the underlying
techniques. In addition to HRAM-MS and high-fidelity isotope ratio
data analysis to determine an unambiguous molecular sum formula,
using a Bruker Compact bench-top ESI-QTOF system,
FUSION-SV 1.0 automatically analyzes 1D 1H and HSQC
400 MHz NMR data. The most advanced solution FUSION-SV 1.1
also requires a high-sensitivity CryoProbe™ Prodigy at 400
MHz (or higher) to add the fast acquisition of HMBC and 13C NMR
data to the automated structure verification analysis. The
FUSION-SV database offers network access to the
spectroscopic data, enabling collaborating scientists to share
results and projects.
Process Optimization with InsightMR™: This new solution
for on-the-fly NMR analysis of chemical processes enables the
adjustment of process parameters based on real-time data analysis.
InsightMR is built on Bruker’s NMR software TopSpin® for seamless
integration with Bruker systems. InsightMR’s user friendly
interface allows both expert and non-expert users to set up,
monitor and adjust key parameters. As a result, it is an excellent
solution for industrial and academic scientists studying and
optimizing organic reactions. InsightMR has already proven
successful with the first installation at Pfizer in Connecticut,
USA, where it has been used to apply NMR to on-line reaction
monitoring to solve real chemical questions within the drug
development pipeline.
Pharma QC and Screening with AssureNMR™: A customizable
solution for evaluation of diverse materials using NMR. Built on
the strengths of NMR for determining compound identity and
quantification, and the highly reproducible nature of NMR,
Assure-NMR screens materials in full automation from
acquisition to report. Integration with the spectrometer through
system suitability verification and cross-checks before the sample
leaves the acquisition queue assures that highest quality spectra
are obtained before the data is analyzed and assists in making sure
the SOPs are followed.
Whether the required analysis is for metabolomics, dietary
supplements, reference standards, APIs, polymers, or raw materials,
this customizable solution provides summaries of the sample
composition and classification results in automation. Designed for
compatibility with both research and GMP environments,
Assure-NMR provides rapid detailed sample analysis for
research studies, product assessment and quality
control.
LabToGo: Access your data and view your spectrometer
status anytime and anywhere with the new LabToGo app for the
iPad. Powered by the ability of TopSpin™ 3.5 to interface
with cloud storage services of the user’s choice, uploaded data can
be examined and visualized remotely. Additionally, the status of
spectrometer automation jobs can be synced to the LabToGo
app and automatic notifications can be sent for finished tasks.
“Bruker now offers a suite of innovative NMR pharma tools,
designed for next-generation drug discovery approaches and more
efficient lead optimization, for increased productivity and for
higher quality,” commented Dr. Till Kuehn, Head of Pharma
Applications Development for the Bruker BioSpin MRS division. “NMR
is a robust, cost-effective, highly quantitative and
information-rich analytical tool, and with these new solutions its
utility for small molecule pharma applications has been greatly
enhanced.”
About Bruker Corporation
For over 50 years, Bruker has enabled scientists to make
breakthrough discoveries and develop new applications that improve
the quality of human life. Bruker’s high-performance scientific
research instruments and high-value analytical solutions enable
scientists to explore life and materials at molecular, cellular and
microscopic levels.
In close cooperation with our customers, Bruker is enabling
innovation, productivity and customer success in life science
molecular research, in applied and pharma applications, in
microscopy, nano-analysis and industrial applications, as well as
in cell biology, preclinical imaging, clinical research,
microbiology and molecular diagnostics. For more information,
please visit: www.bruker.com
For more information on Bruker at ENC 2015, please visit
www.bruker.com/enc
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Media Contact:Bruker CorporationDr. Thorsten Thiel, +49
(721) 5161–6500Director of Marketing Communicationsthorsten.thiel@bruker.comorInvestor
Contact:Joshua Young, +1-978-663-3660, ext. 1479Vice President,
Investor Relationsjoshua.young@bruker.com
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