HTSDSF Explorer,A Novel Tool to Analyze High-throughput DSF Screenings |
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| Affiliation: | 1. Institute for Research in Biomedicine, The Barcelona Institute of Science and Technology, Baldiri Reixac, 10, Barcelona 08028, Spain;2. Department of Biomedicine, University of Bergen, Jonas Lies vei 91, 5009 Bergen, Norway;3. Department of Chemistry, University of Bergen, Allégaten 41, 5007 Bergen, Norway;4. Institució Catalana de Recerca i Estudis Avançats (ICREA), Passeig Lluís Companys 23, Barcelona 08010, Spain;1. European Molecular Biology Laboratory, European Bioinformatics Institute, EMBL-EBI, Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD, UK;2. Division of Computational Biology, Centre for Gene Regulation and Expression, School of Life Sciences, University of Dundee, Dundee, UK;1. Institute of Structural and Molecular Biology, Birkbeck, University of London, Malet Street, London WC1E 7HX, UK;2. School of Biological and Behavioural Sciences, Queen Mary University of London, London E1 4NS, UK;1. Department of Chemistry, Seoul National University, Seoul 08826, Republic of Korea;2. Galux Inc, Gwanak-gu, Seoul 08738, Republic of Korea;3. Department of Computer Science, Seoul National University, Seoul 08826, Republic of Korea;1. Institute for Genomic Medicine, Nationwide Children''s Hospital, 700 Children''s Dr, Columbus, OH 43205, USA;2. Department of Physics, The Ohio State University, 191 West Woodruff Av, Columbus, OH 43210, USA;3. Department of Physics, Department of Chemistry & Biochemistry, Division of Internal Medicine, Center for RNA Biology, The Ohio State University, 191 West Woodruff Av, Columbus, OH 43210, USA;1. Institute for Research in Biomedicine, The Barcelona Institute of Science and Technology, Baldiri Reixac, 10, Barcelona 08028, Spain;2. BCN Peptides S.A. Pol. Ind. Els Vinyets-Els Fogars, Barcelona, Spain;3. Vascular Biology Center, Dept of Pharmacology and Toxicology, Medical College of Georgia at Augusta University, Augusta, GA, USA;4. APEPTICO Forschung und Entwicklung GmbH, Mariahilferstraße 136, 1150 Vienna, Austria;5. Department of Medicine, Emory University School of Medicine, Atlanta, GA, USA;6. Institució Catalana de Recerca i Estudis Avançats (ICREA), Passeig Lluís Companys 23, Barcelona 08010, Spain |
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| Abstract: | The identification of new drugs for novel therapeutic targets requires the screening of libraries containing tens of thousands of compounds. While experimental screenings are assisted by high-throughput technologies, in target-based biophysical assays, such as differential scanning fluorimetry (DSF), the analysis steps must be calculated manually, often combining several software packages. To simplify the determination of the melting temperature (Tm) of the target and the change induced by ligand binding (ΔTm), we developed the HTSDSF explorer, a versatile, all-in-one, user-friendly application suite. Implemented as a server-client application, in the primary screenings, HTSDSF explorer pre-analyzes and displays the Tm and ΔTm results interactively, thereby allowing the user to study hundreds of conditions and select the primary hits in minutes. This application also allows the determination of preliminary binding constants (KD) through a series of subsequent dose–response assays on the primary hits, thereby facilitating the ranking of validated hits and the advance of drug discovery efforts. |
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| Keywords: | high-throughput compound screening thermal shift assay differential scanning fluorimetry |
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