1. Unified Software Solution for Efficient SPR Data Analysis in Drug Research
- Author
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Göran Dahl, Bernd Kappler, Anna Tigerström, Annette Brodte, Fredrik Edfeldt, Philip B. Rawlins, Anders Egnéus, Geoff Holdgate, Rutger H. A. Folmer, Gareth M. Davies, Stephan Steigele, Eva-Lotta Westberg, Stephan Heyse, Nichole O'Connell, Martin Ginkel, Per Hillertz, and Alexander Mehrle
- Subjects
Data Analysis ,0301 basic medicine ,Application Notes ,general pharmaceutical process ,Computer science ,ligand binding ,receptor binding ,Drug Evaluation, Preclinical ,Pharmaceutical Research ,label-free technologies ,Biosensing Techniques ,Bioinformatics ,Biochemistry ,Workflow ,Analytical Chemistry ,03 medical and health sciences ,Software ,Drug Discovery ,Humans ,Instrumentation (computer programming) ,Throughput (business) ,automation or robotics ,business.industry ,Process (computing) ,Surface Plasmon Resonance ,Visualization ,030104 developmental biology ,Drug Design ,Embedded system ,Benchmark (computing) ,database and data management ,Molecular Medicine ,pharmacology ,business ,Raw data ,Biotechnology - 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.
- Published
- 2017