DrugBank: a knowledgebase for drugs, drug actions and drug targets

DrugBank: a knowledgebase for drugs, drug actions and drug targets

2008 | David S. Wishart*, Craig Knox, An Chi Guo, Dean Cheng, Savita Shrivastava, Dan Tzur, Bijaya Gautam and Murtaza Hassanali
DrugBank is a comprehensive, searchable database that integrates detailed drug data with information on drug targets and actions. Since its initial release in 2006, DrugBank has been widely used for in silico drug discovery, drug design, docking, screening, metabolism prediction, and drug interaction prediction. The latest version, DrugBank 2.0, has significantly expanded the database, containing 4900 drug entries, including 60% more FDA-approved drugs and 10% more experimental drugs. It also includes three times as many non-redundant protein or drug target sequences compared to the previous version. Each DrugCard entry now contains over 100 data fields, with half devoted to drug/chemical data and the other half to pharmacological, pharmacogenomic, and molecular biological data. New data fields, such as food-drug interactions, drug-drug interactions, and experimental ADME data, have been added in response to user requests. DrugBank has also improved its search and query capabilities, including text search, chemical structure search, and relational data extraction. The database is available at http://www.drugbank.ca. DrugBank bridges the gap between clinically oriented drug resources and chemically oriented drug databases by providing detailed, up-to-date information on drugs, drug targets, and their biological consequences. It also offers tools for viewing, sorting, searching, and extracting text, image, sequence, or structure data. The database includes extensive links to other bioinformatics and biomedical databases, as well as drug and pharmaceutical databases. It has also been reciprocally linked by SwissProt/UniProt, Wikipedia, BioMOBY, and PubChem. DrugBank has expanded its data fields to include 107 fields, with many new fields added in response to user needs. These include primary and secondary accession numbers, drug synonyms, compound descriptions, drug brand names, SwissProt names, molecular weight, isomeric SMILES string, water solubility, LogP, Caco-2 permeability, and more. The database also includes extensive interaction data, including 714 food-drug interactions and 13,242 drug-drug interactions, which are particularly useful for physicians, pharmacists, and patients. DrugBank has also improved its data handling processes, including the development of a customized scientific data management system (SDMS) for efficient data entry, export, and annotation. The database has also developed automated text and web-mining tools, such as BioSpider and PolySearch, to enhance annotation efficiency and coverage. DrugBank continues to expand its database with a semi-annual update schedule, aiming to improve its querying capabilities, acquire more experimental spectral data, expand its coverage of nutraceuticals, enhance annotation of research compounds, and add pathway or network diagrams. DrugBank is a valuable resource for drug discovery, pharmacology, and pharmaceutical education.DrugBank is a comprehensive, searchable database that integrates detailed drug data with information on drug targets and actions. Since its initial release in 2006, DrugBank has been widely used for in silico drug discovery, drug design, docking, screening, metabolism prediction, and drug interaction prediction. The latest version, DrugBank 2.0, has significantly expanded the database, containing 4900 drug entries, including 60% more FDA-approved drugs and 10% more experimental drugs. It also includes three times as many non-redundant protein or drug target sequences compared to the previous version. Each DrugCard entry now contains over 100 data fields, with half devoted to drug/chemical data and the other half to pharmacological, pharmacogenomic, and molecular biological data. New data fields, such as food-drug interactions, drug-drug interactions, and experimental ADME data, have been added in response to user requests. DrugBank has also improved its search and query capabilities, including text search, chemical structure search, and relational data extraction. The database is available at http://www.drugbank.ca. DrugBank bridges the gap between clinically oriented drug resources and chemically oriented drug databases by providing detailed, up-to-date information on drugs, drug targets, and their biological consequences. It also offers tools for viewing, sorting, searching, and extracting text, image, sequence, or structure data. The database includes extensive links to other bioinformatics and biomedical databases, as well as drug and pharmaceutical databases. It has also been reciprocally linked by SwissProt/UniProt, Wikipedia, BioMOBY, and PubChem. DrugBank has expanded its data fields to include 107 fields, with many new fields added in response to user needs. These include primary and secondary accession numbers, drug synonyms, compound descriptions, drug brand names, SwissProt names, molecular weight, isomeric SMILES string, water solubility, LogP, Caco-2 permeability, and more. The database also includes extensive interaction data, including 714 food-drug interactions and 13,242 drug-drug interactions, which are particularly useful for physicians, pharmacists, and patients. DrugBank has also improved its data handling processes, including the development of a customized scientific data management system (SDMS) for efficient data entry, export, and annotation. The database has also developed automated text and web-mining tools, such as BioSpider and PolySearch, to enhance annotation efficiency and coverage. DrugBank continues to expand its database with a semi-annual update schedule, aiming to improve its querying capabilities, acquire more experimental spectral data, expand its coverage of nutraceuticals, enhance annotation of research compounds, and add pathway or network diagrams. DrugBank is a valuable resource for drug discovery, pharmacology, and pharmaceutical education.
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