Probes & Drugs portal: an interactive, open data resource for chemical biology

0487037 - ÚMG 2018 RIV US eng J - Článek v odborném periodiku
Škuta, Ctibor - Popr, M. - Muller, Tomáš - Jindřich, Jindřich - Kahle, Michal - Sedlák, David - Svozil, Daniel - Bartůněk, Petr
Probes & Drugs portal: an interactive, open data resource for chemical biology.
Nature Methods. Roč. 14, č. 8 (2017), s. 758-759. ISSN 1548-7091. E-ISSN 1548-7105
Grant CEP: GA MŠMT LO1220
Institucionální podpora: RVO:68378050
Klíčová slova: bioactive compound, ,, * chemical probe * chemical biology * portal
Obor OECD: Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)
Impakt faktor: 26.919, rok: 2017

We report the Probes & Drugs (P&D) portal (https://www.probes-drugs.org), a powerful tool for the exploration of bioactive compound space. Chemical probes are indispensable tools in modern biology. These compounds are commonly used to study gene function, validate molecular targets or dissect complex processes within cells and organisms1,2,3. Unlike drugs, which are effective, bioavailable and safe compounds, a probe's main attributes reside in its potency, selectivity and well-defined mechanism of action. Yet identifying chemical probes that meet all the demands of an experimental design is not a trivial task. Information on candidate probes and their potency, mechanism of action or availability is typically scattered over various sources, and gathering such information can be very time consuming. In some cases, probe annotations may even be out of date, and this propagates the continued selection of probes in which the biological characteristics have been disproven and their suitability questioned4,5. Many of these compounds remain incorporated in commercial screening libraries and continue to be used by the community5,6.
Trvalý link: http://hdl.handle.net/11104/0281725