title: Unified Software Solution for Efficient SPR Data Analysis in Drug Research.
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.
authors: 1 Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca, Mölndal, Sweden.
authors: Göran
authors: G
authors: Dahl
authors: 2 Genedata AG, Basel, Switzerland.
authors: Stephan
authors: S
authors: Steigele
authors: 3 R&D Information, Innovative Medicines and Early Development Biotech Unit, AstraZeneca, Mölndal, Sweden.
authors: Per
authors: P
authors: Hillertz
authors: 1 Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca, Mölndal, Sweden.
authors: Anna
authors: A
authors: Tigerström
authors: 3 R&D Information, Innovative Medicines and Early Development Biotech Unit, AstraZeneca, Mölndal, Sweden.
authors: Anders
authors: A
authors: Egnéus
authors: 2 Genedata AG, Basel, Switzerland.
authors: Alexander
authors: A
authors: Mehrle
authors: 2 Genedata AG, Basel, Switzerland.
authors: Martin
authors: M
authors: Ginkel
authors: 1 Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca, Mölndal, Sweden.
authors: Fredrik
authors: F
authors: Edfeldt
authors: 4 Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca, Cambridge, UK.
authors: Geoff
authors: G
authors: Holdgate
authors: 5 Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, Waltham, MA, USA.
authors: Nichole
authors: N
authors: O'Connell
authors: 2 Genedata AG, Basel, Switzerland.
authors: Bernd
authors: B
authors: Kappler
authors: 2 Genedata AG, Basel, Switzerland.
authors: Annette
authors: A
authors: Brodte
authors: 4 Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca, Cambridge, UK.
authors: Philip B
authors: PB
authors: Rawlins
authors: 6 Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, Macclesfield, Cheshire, UK.
authors: Gareth
authors: G
authors: Davies
authors: 3 R&D Information, Innovative Medicines and Early Development Biotech Unit, AstraZeneca, Mölndal, Sweden.
authors: Eva-Lotta
authors: EL
authors: Westberg
authors: 1 Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca, Mölndal, Sweden.
authors: Rutger H A
authors: RH
authors: Folmer
authors: 2 Genedata AG, Basel, Switzerland.
authors: Stephan
authors: S
authors: Heyse
mesh_terms: D015374:Biosensing Techniques / Q000379:methods*; D000078332:Data Analysis; D015195:Drug Design; D055808:Drug Discovery; D004353:Drug Evaluation, Preclinical / Q000639:trends*; D006801:Humans; D000071220:Pharmaceutical Research; D012984:Software; D020349:Surface Plasmon Resonance; D057188:Workflow
keywords: automation or robotics; database and data management; general pharmaceutical process; label-free technologies; ligand binding; pharmacology; receptor binding