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ChemProt: a disease chemical biology database
Olivier Taboureau1, Sonny Kim Nielsen, Karine Audouze
1Department of Systems Biology, Center for Biological Sequence Analysis, Technical University of Denmark, Lyngby, DK-2800 Denmark. otab@cbs.dtu.dk
Nucleic Acids Research
|October 12, 2010
Summary
ChemProt is a new database integrating chemical biology and network biology data. It links chemicals to proteins and diseases, aiding drug discovery and toxicity evaluation.
Area of Science:
- Systems pharmacology
- Chemical biology
- Network biology
Background:
- Systems pharmacology requires integrating multi-scale biological data.
- Network-based approaches are needed to combine chemical biology and network biology knowledge.
Purpose of the Study:
- To develop ChemProt, a disease chemical biology database.
- To integrate chemical-protein interactions with protein-protein interaction networks.
Main Methods:
- Compiled over 700,000 chemicals and 30,578 proteins with biological annotations.
- Integrated over 2 million chemical-protein interactions into a human protein-protein interaction network.
- Developed a quality-scored human PPI network with 428,429 interactions.
Main Results:
- ChemProt database created, linking chemicals to proteins and diseases.
- Identified associations between citalopram and osteogenesis imperfect/leukemia.
- Linked bisphenol A to specific cancers, highlighting its endocrine-disrupting role.
Conclusions:
- ChemProt facilitates in silico evaluation of chemicals and drugs.
- Enables studying disease and tissue specificity via protein complexes.
- Supports selection of compounds based on activity against biological targets and adverse drug event pathways.