2006, Vol. 34, Database issue | David S. Wishart*, Craig Knox, An Chi Guo, Savita Shrivastava, Murtaza Hassanali, Paul Stothard, Zhan Chang and Jennifer Woolsey
DrugBank is a comprehensive bioinformatics and cheminformatics resource that integrates detailed drug (chemical) data with comprehensive drug target (protein) information. The database contains over 4,100 drug entries, including more than 800 FDA-approved small molecule and biotech drugs, and links over 14,000 protein or drug target sequences to these entries. Each DrugCard entry includes over 80 data fields, with half dedicated to drug/chemical data and the other half to drug target or protein data. The database supports extensive text, sequence, chemical structure, and relational queries, making it useful for in silico drug target discovery, drug design, docking, screening, metabolism prediction, interaction prediction, and pharmaceutical education. DrugBank is available at http://redpoll.pharmacy.ualberta.ca/drugbank/. The authors highlight the challenges in integrating cheminformatics and bioinformatics data and emphasize the unique features of DrugBank, such as its extensive support for higher-level database searching and selecting functions, including BLAST, chemical structure similarity searches, and relational data extraction tools. The database is curated to ensure completeness, correctness, and currency, with regular spot checks and continuous updates.DrugBank is a comprehensive bioinformatics and cheminformatics resource that integrates detailed drug (chemical) data with comprehensive drug target (protein) information. The database contains over 4,100 drug entries, including more than 800 FDA-approved small molecule and biotech drugs, and links over 14,000 protein or drug target sequences to these entries. Each DrugCard entry includes over 80 data fields, with half dedicated to drug/chemical data and the other half to drug target or protein data. The database supports extensive text, sequence, chemical structure, and relational queries, making it useful for in silico drug target discovery, drug design, docking, screening, metabolism prediction, interaction prediction, and pharmaceutical education. DrugBank is available at http://redpoll.pharmacy.ualberta.ca/drugbank/. The authors highlight the challenges in integrating cheminformatics and bioinformatics data and emphasize the unique features of DrugBank, such as its extensive support for higher-level database searching and selecting functions, including BLAST, chemical structure similarity searches, and relational data extraction tools. The database is curated to ensure completeness, correctness, and currency, with regular spot checks and continuous updates.