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

DrugBank is a unique bioinformatics/cheminformatics resource that combines detailed drug (i.e. chemical)data withcomprehensive 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. Thedatabaseisfullysearchable supportingextensive 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 a...

• Type: Journal
• Year: 2006
• Where: NAR
• Authors: David S. Wishart, Craig Knox, Anchi Guo, Savita Shrivastava, Murtaza Hassanali, Paul Stothard, Zhan Chang, Jennifer Woolsey
• Keywords: Drug, Drug Entries, Drug Target, NAR 2006