ChemProt: a disease chemical biology database

Systems pharmacology is an emergent area that studies drug action across multiple scales of complexity, from molecular and cellular to tissue and organism levels. There is a critical need to develop network-based approaches to integrate the growing body of chemical biology knowledge with network bio...

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Published inNucleic acids research Vol. 39; no. Database issue; pp. D367 - D372
Main Authors Taboureau, Olivier, Nielsen, Sonny Kim, Audouze, Karine, Weinhold, Nils, Edsgärd, Daniel, Roque, Francisco S, Kouskoumvekaki, Irene, Bora, Alina, Curpan, Ramona, Jensen, Thomas Skøt, Brunak, Søren, Oprea, Tudor I
Format Journal Article
LanguageEnglish
Published England Oxford University Press 01.01.2011
Subjects
Databases, Factual
Disease - genetics
Drug Discovery
Genes
Humans
Pharmaceutical Preparations - chemistry
Protein Interaction Mapping
Proteins - chemistry
Proteins - drug effects
Proteins - metabolism
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Summary:Systems pharmacology is an emergent area that studies drug action across multiple scales of complexity, from molecular and cellular to tissue and organism levels. There is a critical need to develop network-based approaches to integrate the growing body of chemical biology knowledge with network biology. Here, we report ChemProt, a disease chemical biology database, which is based on a compilation of multiple chemical-protein annotation resources, as well as disease-associated protein-protein interactions (PPIs). We assembled more than 700 000 unique chemicals with biological annotation for 30 578 proteins. We gathered over 2-million chemical-protein interactions, which were integrated in a quality scored human PPI network of 428 429 interactions. The PPI network layer allows for studying disease and tissue specificity through each protein complex. ChemProt can assist in the in silico evaluation of environmental chemicals, natural products and approved drugs, as well as the selection of new compounds based on their activity profile against most known biological targets, including those related to adverse drug events. Results from the disease chemical biology database associate citalopram, an antidepressant, with osteogenesis imperfect and leukemia and bisphenol A, an endocrine disruptor, with certain types of cancer, respectively. The server can be accessed at http://www.cbs.dtu.dk/services/ChemProt/.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
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The authors wish it to be known that, in their opinion, the first two authors should be regarded as joint First Authors.
ISSN:0305-1048
1362-4962
1362-4962
DOI:10.1093/nar/gkq906