DrugBank

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Introduction

DrugBank is a "drug (i.e. chemical, pharmacological and pharmaceutical) data" and "drug target (i.e. sequence, structure, and pathway) information" online database, supported by Dr. David Wishart, the Departments of Computing Science & Biological Sciences at the University of Alberta, Genome Alberta, Genome Canada, and GenomeQuest, Inc.[1] The homepage of DrugBank describes how the database contains:[1]

  • 6796 drug entries
    • 1437 FDA-approved small molecule drugs
    • 134 FDA-approved biotech (protein/peptide) drugs
    • 83 nutraceuticals
    • 5174 experimental drugs
  • 4285 non-redundant protein (i.e. drug target/enzyme/transporter/carrier) sequences are linked to these drug entries

The record for each drug entry contains "more than 150 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data."[1]

Use

Users can either browse or search through DrugBank. Browsing options include:

  • Drug Browse - Browse through a list of all available drugs, and filter by molecule type or legal status. User can sort results by DrugBank ID, Name, CAS Number, Weight, and Formula.
  • Pharma Browse - A list of physical categories subdivided into pharmaceutical use categories. Drugs are classified under pharmaceutical uses.
  • Geno Browse - A list of drugs, including Interacting Gene/Enzyme for each result. Filter through options SNP-ADR or SNP-FX.
  • Pathway Browse - A list of pathway names (organized under different classes) and corresponding drugs. Users can utilize a search form to search the list by drug name.
  • Class Browse - A list of drugs, organized under different classes. Users can utilize a search form to search the list by drug name.
  • Association Browse - A list of chemicals with a short description of specific function for each result. Filter by Targets, Enzymes, Carriers, or Transporters.

Search options include:

  • ChemQuery - Structure search through a structure-drawing tool, search using a SMILES string, or search a range of monoisotopic masses.
  • Text Query - Search within a command line interface, which supports Boolean operators, wildcards, parenthetical groupings, (+/-) operators, and field codes. All available codes, as well as examples of correct query formation, are listed below the search form.
  • Interax Interaction Search - Enter drug names, separated by a semi-colon and a space, to search for drug interactions. A Multi-Search, which allows the user to enter 2 lists of drugs, and a Food Interaction Lookup are also available.
  • Sequence Search - Enter the DNA/amino acid query sequence in FASTA format and enter BLAST parameters.
  • Data Extractor - Select multiple fields to search within simultaneously and view the data for selected fields for all results in HTML or Excel format.

Sources

  1. 1.0 1.1 1.2 "DrugBank." DrugBank website, http://drugbank.ca/. Accessed September 15, 2011.

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