SLAS Discovery
2017, Vol. 22(2) 203–209
© 2016 Society for Laboratory
Automation and Screening
DOI: 10.1177/1087057116675316
journals.sagepub.com/home/jbx
Application Note
Introduction
Surface plasmon resonance (SPR) is a powerful biophysical
method for measuring molecular interactions. The versatil-
ity of the technology means that it can be used both as a
screening platform to identify binders and for detailed
kinetic characterization of binding interactions. This has
resulted in SPR being used widely in the drug discovery
community.
1–4
With the increased interest in the binding
kinetics of drugs
5,6
to better understand the mode of binding
and possibly predict therapeutic effectiveness, the demand
for SPR data is rising. In order to accommodate this
increased demand, AstraZeneca explored how it could sim-
plify and optimize its SPR workflow.
For this streamlining exercise, instrumentation and
analysis software were scrutinized to identify opportuni-
ties for optimization. Currently, the small-molecule drug
discovery performed by Discovery Sciences at AstraZeneca
uses the General Electric Healthcare (GEHC) Biacore
4000, S200, T200, and 3000 SPR instruments. Two major
areas for improvement in the Biacore software were read-
ily identified. First, each SPR instrument comes with its
own control and data evaluation software, which are
aimed at the primary uses of the particular platform, such
675316JBX XX X 10.1177/1087057116675316Journal of Biomolecular ScreeningDahl et al.
research-article 2016
1
Discovery Sciences, Innovative Medicines and Early Development
Biotech Unit, AstraZeneca, Mölndal, Sweden
2
Genedata AG, Basel, Switzerland
3
R&D Information, Innovative Medicines and Early Development Biotech
Unit, AstraZeneca, Mölndal, Sweden
4
Discovery Sciences, Innovative Medicines and Early Development
Biotech Unit, AstraZeneca, Cambridge, UK
5
Discovery Sciences, Innovative Medicines and Early Development
Biotech Unit, Waltham, MA, USA
6
Discovery Sciences, Innovative Medicines and Early Development
Biotech Unit, Macclesfield, Cheshire, UK
*These authors contributed equally to this work
Received July 5, 2016, and in revised form Sep 30, 2016. Accepted for
publication Sep 30, 2016.
Supplementary material for this article is available on the Journal of
Biomolecular Screening Web site at http://jbx.sagepub.com/supplemental.
Corresponding Author:
Stephan Steigele, Genedata AG, Margarethenstrasse 38, 4053 Basel,
Switzerland.
Email: stephan.steigele@genedata.com
Unified Software Solution for Efficient
SPR Data Analysis in Drug Research
Göran Dahl
1*
, Stephan Steigele
2*
, Per Hillertz
3
, Anna Tigerström
1
,
Anders Egnéus
3
, Alexander Mehrle
2
, Martin Ginkel
2
, Fredrik Edfeldt
1
,
Geoff Holdgate
4
, Nichole O’Connell
5
, Bernd Kappler
2
, Annette Brodte
2
,
Philip B. Rawlins
4
, Gareth Davies
6
, Eva-Lotta Westberg
3
,
Rutger H. A. Folmer
1
, and Stephan Heyse
2
Abstract
Surface plasmon resonance (SPR) is a powerful method for obtaining detailed molecular interaction parameters. Modern
instrumentation with its increased throughput has enabled routine screening by SPR in hit-to-lead and lead optimization
programs, and SPR has become a mainstream drug discovery technology. However, the processing and reporting of SPR
data in drug discovery are typically performed manually, which is both time-consuming and tedious. Here, we present the
workflow concept, design and experiences with a software module relying on a single, browser-based software platform
for the processing, analysis, and reporting of SPR data. The efficiency of this concept lies in the immediate availability of end
results: data are processed and analyzed upon loading the raw data file, allowing the user to immediately quality control
the results. Once completed, the user can automatically report those results to data repositories for corporate access
and quickly generate printed reports or documents. The software module has resulted in a very efficient and effective
workflow through saved time and improved quality control. We discuss these benefits and show how this process defines
a new benchmark in the drug discovery industry for the handling, interpretation, visualization, and sharing of SPR data.
Keywords
automation or robotics, database and data management, label-free technologies, pharmacology, ligand binding, receptor
binding, general pharmaceutical process