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. 2006 Jan 1;34(Database issue):D668-72.
doi: 10.1093/nar/gkj067.

DrugBank: a comprehensive resource for in silico drug discovery and exploration

David S Wishart  1 , Craig Knox, An Chi Guo, Savita Shrivastava, Murtaza Hassanali, Paul Stothard, Zhan Chang, Jennifer Woolsey
Affiliations

DrugBank: a comprehensive resource for in silico drug discovery and exploration

David S Wishart et al. Nucleic Acids Res. .

Abstract

DrugBank is a unique bioinformatics/cheminformatics resource that combines detailed drug (i.e. chemical) data with comprehensive drug target (i.e. protein) information. The database contains >4100 drug entries including >800 FDA approved small molecule and biotech drugs as well as >3200 experimental drugs. Additionally, >14,000 protein or drug target sequences are linked to these drug entries. Each DrugCard entry contains >80 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data. Many data fields are hyperlinked to other databases (KEGG, PubChem, ChEBI, PDB, Swiss-Prot and GenBank) and a variety of structure viewing applets. The database is fully searchable supporting extensive text, sequence, chemical structure and relational query searches. Potential applications of DrugBank include in silico drug target discovery, drug design, drug docking or screening, drug metabolism prediction, drug interaction prediction and general pharmaceutical education. DrugBank is available at http://redpoll.pharmacy.ualberta.ca/drugbank/.

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Figures

Figure 1
Figure 1
A screenshot montage of the DrugBank Database showing several possible views of information describing the drug Ramipril. Not all fields are shown.
See this image and copyright information in PMC

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