RT Journal Article
T1 The application of the open Pharmacological Concepts Triple Store (Open PHACTS) to support drug discovery research
A1 Ratnam, Joseline
A1 Zdrazil, Barbara
A1 Digles, Daniela
A1 Cuadrado Rodríguez, Emiliano
A1 Neefs, Jean-Marc
A1 Tipney, Hannah
A1 Siebes, Ronald
A1 Waagmeester, Andra
A1 Bradley, Glyn
A1 Chau, Chau Han
A1 Richter, Lars
A1 Brea Floriani, José Manuel
A1 Evelo, Chris T.
A1 Jacoby, Edgar
A1 Senger, Stefan
A1 Loza García, María Isabel
A1 Ecker, Gerhard F.
A1 Chichester, Christine
K1 Open Pharmacological Concepts Triple Store
K1 Open PHACTS
K1 Innovative Medicines Initiative project
K1 World drug discovery problems
AB Integration of open access, curated, high-quality information from multiple disciplines in the Life and Biomedical Sciences provides a holistic understanding of the domain. Additionally, the effective linking of diverse data sources can unearth hidden relationships and guide potential research strategies. However, given the lack of consistency between descriptors and identifiers used in different resources and the absence of a simple mechanism to link them, gathering and combining relevant, comprehensive information from diverse databases remains a challenge. The Open Pharmacological Concepts Triple Store (Open PHACTS) is an Innovative Medicines Initiative project that uses semantic web technology approaches to enable scientists to easily access and process data from multiple sources to solve real-world drug discovery problems. The project draws together sources of publicly-available pharmacological, physicochemical and biomolecular data, represents it in a stable infrastructure and provides well-defined information exploration and retrieval methods. Here, we highlight the utility of this platform in conjunction with workflow tools to solve pharmacological research questions that require interoperability between target, compound, and pathway data. Use cases presented herein cover 1) the comprehensive identification of chemical matter for a dopamine receptor drug discovery program 2) the identification of compounds active against all targets in the Epidermal growth factor receptor (ErbB) signaling pathway that have a relevance to disease and 3) the evaluation of established targets in the Vitamin D metabolism pathway to aid novel Vitamin D analogue design. The example workflows presented illustrate how the Open PHACTS Discovery Platform can be used to exploit existing knowledge and generate new hypotheses in the process of drug discovery
PB Plos One
YR 2014
FD 2014-12-18
LK https://hdl.handle.net/10347/44625
UL https://hdl.handle.net/10347/44625
LA eng
NO Ratnam J, Zdrazil B, Digles D, CuadradoRodriguez E, Neefs J-M, et al. (2014) The Application of the Open Pharmacological Concepts Triple Store (Open PHACTS) to Support Drug Discovery Research. PLoS ONE 9(12): e115460. doi:10.1371/journal.pone.0115460
NO Innovative Medicines Initiative Joint Undertaking (http://www.imi.europa.eu) under grant agreement no. 115191, the resources of which were composed of a financial contribution from the European Union's Seventh Framework Programme (FP7/2007-2013)
NO GSK Medicines Research Centre
NO EFPIA (European Federation of Pharmaceutical Industries and Associations) companies
DS Minerva
RD 29 abr 2026