دورية أكاديمية
أعرض في EDS

The application of the open pharmacological concepts triple store (open PHACTS) to support drug discovery research.

التفاصيل البيبلوغرافية
العنوان: The application of the open pharmacological concepts triple store (open PHACTS) to support drug discovery research.
المؤلفون: Ratnam J; Universidade de Santiago de Compostela, Grupo BioFarma-USEF, Departamento de Farmacología, Campus Universitario Sur s/n, 15782 Santiago de Compostela, Spain., Zdrazil B; University of Vienna, Department of Pharmaceutical Chemistry, Althanstrasse 14, 1090 Vienna, Austria., Digles D; University of Vienna, Department of Pharmaceutical Chemistry, Althanstrasse 14, 1090 Vienna, Austria., Cuadrado-Rodriguez E; Universidade de Santiago de Compostela, Grupo BioFarma-USEF, Departamento de Farmacología, Campus Universitario Sur s/n, 15782 Santiago de Compostela, Spain., Neefs JM; Janssen Research & Development, Turnhoutseweg 30, Beerse, Belgium., Tipney H; GSK Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire, SG1 2NY, United Kingdom., Siebes R; Vrije Universiteit, Faculty of Sciences, division of Math. and Computer Science, De Boelelaan 1081a, 1081 HV Amsterdam, The Netherlands., Waagmeester A; Department of Bioinformatics - BiGCaT, Maastricht University, Maastricht, The Netherlands., Bradley G; GSK Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire, SG1 2NY, United Kingdom., Chau CH; GSK Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire, SG1 2NY, United Kingdom., Richter L; University of Vienna, Department of Pharmaceutical Chemistry, Althanstrasse 14, 1090 Vienna, Austria., Brea J; Universidade de Santiago de Compostela, Grupo BioFarma-USEF, Departamento de Farmacología, Campus Universitario Sur s/n, 15782 Santiago de Compostela, Spain., Evelo CT; Department of Bioinformatics - BiGCaT, Maastricht University, Maastricht, The Netherlands., Jacoby E; Janssen Research & Development, Turnhoutseweg 30, Beerse, Belgium., Senger S; GSK Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire, SG1 2NY, United Kingdom., Loza MI; Universidade de Santiago de Compostela, Grupo BioFarma-USEF, Departamento de Farmacología, Campus Universitario Sur s/n, 15782 Santiago de Compostela, Spain., Ecker GF; University of Vienna, Department of Pharmaceutical Chemistry, Althanstrasse 14, 1090 Vienna, Austria., Chichester C; Swiss Institute of Bioinformatics, CALIPHO Group, CMU - Rue Michel-Servet 1, 1211 Geneva 4, Switzerland.
المصدر: PloS one [PLoS One] 2014 Dec 18; Vol. 9 (12), pp. e115460. Date of Electronic Publication: 2014 Dec 18 (Print Publication: 2014).
نوع المنشور: Journal Article; Research Support, Non-U.S. Gov't
اللغة: English
بيانات الدورية: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE
أسماء مطبوعة: Original Publication: San Francisco, CA : Public Library of Science
مواضيع طبية MeSH: Databases as Topic* , Software*, Drug Discovery/*organization & administration, Drug Discovery/methods ; Drug Discovery/statistics & numerical data
مستخلص: 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.
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معلومات مُعتمدة: F 3502 Austria FWF_ Austrian Science Fund FWF
تواريخ الأحداث: Date Created: 20141219 Date Completed: 20151217 Latest Revision: 20220129
رمز التحديث: 20231215
مُعرف محوري في PubMed: PMC4270790
DOI: 10.1371/journal.pone.0115460
PMID: 25522365
قاعدة البيانات: MEDLINE
الوصف
تدمد:1932-6203
DOI:10.1371/journal.pone.0115460