2026-04-13T02:37:19Zhttps://recercat.cat/oai/requestoai:recercat.cat:2445/1830162025-12-04T19:32:57Zcom_2072_1057col_2072_478908col_2072_478917
RECERCAT
author
Martin Malpartida, Pau
author
Hausvik, Emil
author
Underhaug, Jarl
author
Torner, Carles
author
Martinez, Aurora
author
Macias, Maria Jesus
2022-02-08T17:44:05Z2022-11-19T06:10:26Z2021-11-192022-02-08T13:49:54Z
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 (?Tm), 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 ?Tm 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. © 2021 Elsevier Ltd
cc by-nc-nd (c) Elsevier, 2021 http://creativecommons.org/licenses/by-nc-nd/3.0/es/ info:eu-repo/semantics/openAccess
automatic Tm
automatic KD analysis
Differential scanning fluorimetry
high-throughput compound screening
thermal shift assay
Arquitectura client-servidor (Informàtica)
Medicaments
Client/server computing
Drugs
HTSDSF Explorer, A Novel Tool to Analyze High-throughput DSF Screenings: HTSDSF Explorer, a tool for DSF screenings
info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion