Mapping Compound Databases to Disease Maps-A MINERVA Plugin for CandActBase.

Autor: Vinhoven L; Department of Medical Bioinformatics, University Medical Center Göttingen, Goldschmidtstraße 1, 37077 Göttingen, Germany., Voskamp M; Department of Medical Bioinformatics, University Medical Center Göttingen, Goldschmidtstraße 1, 37077 Göttingen, Germany., Nietert MM; Department of Medical Bioinformatics, University Medical Center Göttingen, Goldschmidtstraße 1, 37077 Göttingen, Germany.; CIDAS Campus Institute Data Science, Goldschmidtstraße 1, 37077 Göttingen, Germany.
Jazyk: angličtina
Zdroj: Journal of personalized medicine [J Pers Med] 2021 Oct 24; Vol. 11 (11). Date of Electronic Publication: 2021 Oct 24.
DOI: 10.3390/jpm11111072
Abstrakt: The MINERVA platform is currently the most widely used platform for visualizing and providing access to disease maps. Disease maps are systems biological maps of molecular interactions relevant in a certain disease context, where they can be used to support drug discovery. For this purpose, we extended MINERVA's own drug and chemical search using the MINERVA plugin starter kit. We developed a plugin to provide a linkage between disease maps in MINERVA and application-specific databases of candidate therapeutics. The plugin has three main functionalities; one shows all the targets of all the compounds in the database, the second is a compound-based search to highlight targets of specific compounds, and the third can be used to find compounds that affect a certain target. As a use case, we applied the plugin to link a disease map and compound database we previously established in the context of cystic fibrosis and, herein, point out possible issues and difficulties. The plugin is publicly available on GitLab; the use-case application to cystic fibrosis, connecting disease maps and the compound database CandActCFTR, is available online.
Databáze: MEDLINE