DrugBank

Source: Wikipedia, the free encyclopedia.
DrugBank
Research center
University of Alberta and The Metabolomics Innovation Centre, Alberta, Canada
LaboratoryDavid S. Wishart
Primary citationDrugBank: a comprehensive resource for in silico drug discovery and exploration.[1]
Access
Websitewww.drugbank.com
Download URLwww.drugbank.ca/downloads
Miscellaneous
Data release
frequency		Every 2 years with monthly corrections and updates
Curation policyManually curated

The DrugBank database is a comprehensive, freely accessible, online database containing information on drugs and drug targets created and maintained by the University of Alberta and The Metabolomics Innovation Centre located in Alberta, Canada.[1] As both a bioinformatics and a cheminformatics resource, DrugBank combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information.[1][2] DrugBank has used content from Wikipedia;[3] Wikipedia also often links to Drugbank, posing potential circular reporting issues.[3]

The DrugBank Online website is available to the public as a free-to-access resource. However, use and re-distribution of content from DrugBank Online or the underlying DrugBank Data, in whole or part, and for any purpose requires a license. Academic users can apply for a free license for certain use cases while all other users require a paid license.

The latest release of the database (version 5.0) contains 9591 drug entries including 2037

nutraceuticals and over 6000 experimental drugs.[4] Additionally, 4270 non-redundant protein (i.e. drug target/enzyme/transporter/carrier) sequences are linked to these drug entries. Each DrugCard entry (Fig. 1) contains more than 200 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data.[4]

Four additional databases, HMDB,

food additives
.

Version history

The first version of DrugBank was released in 2006.

illicit drugs, extensive food-drug and drug-drug interactions as well as ADMET (absorption, distribution, metabolism, excretion and toxicity) parameters. Version 3.0 was released in 2011.[8] This version contained 1424 approved small molecule drugs and 132 biotech drugs as well as >4000 unique drug targets. Version 3.0 also included drug transporter data, drug pathway data, drug pricing, patent and manufacturing data as well as data on >5000 experimental drugs. Version 4.0 was released in 2014.[4] This version included 1558 FDA-approved small molecule drugs, 155 biotech drugs and 4200 unique drug targets. Version 4.0 also incorporated extensive information on drug metabolites (structures and reactions), drug taxonomy, drug spectra, drug binding constants
and drug synthesis information. Table 1 provides a more complete statistical summary of the history of DrugBank's development.

Table 1. Comparison between the coverage in DrugBank 1.0, 2.0, 3.0 and DrugBank 4.0.
Category 1.0 2.0 3.0 4.0
No. of data fields per DrugCard 88 108 148 208
No. of search types 8 12 16 18
No. of illustrated drug-action pathways 0 0 168 232
No. of drugs with metabolizing enzyme data 0 0 762 1,037
No. of drug metabolites with structures 0 0 0 1,239
No. of drug-metabolism reactions 0 0 0 1,308
No. of illustrated drug metabolism pathways 0 0 0 53
No. of drugs with drug transporter data 0 0 516 623
No. of drugs with taxonomic classification information 0 0 0 6,713
No. of SNP-associated drug effects 0 0 113 201
No. of drugs with patent/pricing/manufacturer data 0 0 1,208 1,450
No. of food–drug interactions 0 714 1,039 1,180
No. of drug–drug interactions 0 13,242 13,795 14,150
No. of ADMET parameters (Caco-2, LogS) 0 276 890 6,667
No. of QSAR parameters per drug 5 6 14 23
No. of drugs with drug-target binding constant data 0 0 0 791
No. of drugs with NMR spectra 0 0 0 306
No. of drugs with MS spectra 0 0 0 384
No. of drugs with chemical synthesis information 0 38 38 1,285
No. of FDA-approved small molecule drugs 841 1,344 1,424 1,558
No. of biotech drugs 113 123 132 155
No. of nutraceutical drugs 61 69 82 87
No. of withdrawn drugs 0 57 68 78
No. of illicit drugs 0 188 189 190
No. of experimental drugs 2,894 3,116 5,210 6,009
Total No. of experimental and FDA small molecule drugs 3,796 4,774 6,684 7,561
Total No. of experimental and FDA drugs (all types) 3,909 4,897 6,816 7,713
No. of all drug targets (unique) 2,133 3,037 4,326 4,115
No. of approved-drug enzymes/carriers (unique) 0 0 164 245
No. of all drug enzymes/carriers (unique) 0 0 169 253
No. of external database links 12 18 31 33

Scope and access

All data in DrugBank is derived from public non-proprietary sources. Nearly every data item is fully traceable and explicitly referenced to the original source. DrugBank data is available through a public web interface.[9]

See also

Wikidata has the property:

References

  1. ^
    PMID 16381955
    .
  2. ^
    PMID 18048412
    .
  3. ^ a b Harrison, Stephen (7 March 2019). "The Dizzying Problem of Citationless Wikipedia "Facts" That Take On a Life of Their Own". Slate Magazine. Retrieved 9 November 2019.
  4. ^
    PMID 24203711
    .
  5. PMID 18953024
    .
  6. PMID 19897546
    .
  7. PMID 24203708
    .
  8. PMID 21059682
    .
  9. PMID 16381955
    .
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