Unified Software Solution for Efficient SPR Data Analysis in Drug Research
| Autor: | 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, Alexander Mehrle |
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| Rok vydání: | 2017 |
| Předmět: |
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 |
| Zdroj: | Slas Discovery |
| ISSN: | 2472-5552 |
| DOI: | 10.1177/1087057116675316 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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