Will the chemical probes please stand up?

0555591 - ÚMG 2022 RIV GB eng J - Journal Article
Škuta, Ctibor - Southan, C. - Bartůněk, Petr
Will the chemical probes please stand up?
RSC MEDICINAL CHEMISTRY. Roč. 12, č. 8 (2021), s. 1428-1441. E-ISSN 2632-8682
R&D Projects: GA MŠMT(CZ) LM2018130
Research Infrastructure: CZ-OPENSCREEN III - 90130
Institutional support: RVO:68378050
Keywords : interference compounds pains * concise guide * inhibitors * discovery * libraries * drugs
OECD category: Biochemistry and molecular biology
Impact factor: 3.470, year: 2021
Method of publishing: Open access
https://pubs.rsc.org/en/content/articlelanding/2021/MD/D1MD00138H

In 2005, the NIH Molecular Libraries Program (MLP) undertook the identification of tool compounds to expand biological insights, now termed small-molecule chemical probes. This inspired other organisations to initiate similar efforts from 2010 onwards. As a central focus of the Probes & Drugs portal (P&D), we have standardised, integrated and compared sets of declared probe compounds harvested from 12 different sources. This turned out to be challenging and revealed unexpected anomalies. Results in this work address key questions including, a) individual and total structure counts, b) overlaps between sources, c) comparisons with selected PubChem sources and d) investigating the probe coverage of druggable targets. In addition, we developed new high-level scoring schemes to filter collections down to probes of higher quality. This generated 548 high-quality chemical probes (HQCP) covering 447 distinct protein targets. This HQCP collection has been added to the P&D portal and will be regularly updated as established sources expand and new ones release data.
Permanent Link: http://hdl.handle.net/11104/0330055