Английская Википедия:DrugBank
Шаблон:Short description Шаблон:Infobox biodatabase
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 FDA-approved small molecule drugs, 241 FDA-approved biotech (protein/peptide) drugs, 96 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,[5] T3DB,[6] SMPDB[7] and FooDB are also part of a general suite of metabolomic/cheminformatic databases. HMDB contains equivalent information on more than 40,000 human metabolites, T3DB contains information on 3100 common toxins and environmental pollutants, SMPDB contains pathway diagrams for nearly 700 human metabolic pathways and disease pathways, while FooDB contains equivalent information on ~28,000 food components and food additives.
Version history
The first version of DrugBank was released in 2006.[1] This early release contained relatively modest information about 841 FDA-approved small molecule drugs and 113 biotech drugs. It also included information on 2133 drug targets. The second version of DrugBank was released in 2009.[2] This greatly expanded and improved version of the database included 1344 approved small molecule drugs and 123 biotech drugs as well as 3037 unique drug targets. Version 2.0 also included, for the first time, withdrawn drugs and 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.
| Category | 1.0 | 2.0 | 3.0 | 4.0 |
|---|---|---|---|---|
| No. of data fields per DrugCard | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of search types | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of illustrated drug-action pathways | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of drugs with metabolizing enzyme data | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of drug metabolites with structures | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of drug-metabolism reactions | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of illustrated drug metabolism pathways | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of drugs with drug transporter data | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of drugs with taxonomic classification information | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of SNP-associated drug effects | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of drugs with patent/pricing/manufacturer data | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of food–drug interactions | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of drug–drug interactions | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of ADMET parameters (Caco-2, LogS) | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of QSAR parameters per drug | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of drugs with drug-target binding constant data | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of drugs with NMR spectra | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of drugs with MS spectra | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of drugs with chemical synthesis information | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of FDA-approved small molecule drugs | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of biotech drugs | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of nutraceutical drugs | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of withdrawn drugs | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of illicit drugs | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of experimental drugs | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| Total No. of experimental and FDA small molecule drugs | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| Total No. of experimental and FDA drugs (all types) | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of all drug targets (unique) | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of approved-drug enzymes/carriers (unique) | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of all drug enzymes/carriers (unique) | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
| No. of external database links | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts | Шаблон:Nts |
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
- ChEMBL
- Drug metabolism
- HMDB
- KEGG
- List of biological databases
- Pharmacology
- SMPDB
- T3DB
- Therapeutic Targets Database
References
- ↑ 1,0 1,1 1,2 Ошибка цитирования Неверный тег
<ref>; для сносокpmid16381955не указан текст - ↑ 2,0 2,1 Шаблон:Cite journal
- ↑ 3,0 3,1 Шаблон:Cite news
- ↑ 4,0 4,1 4,2 Шаблон:Cite journal
- ↑ Шаблон:Cite journal
- ↑ Шаблон:Cite journal
- ↑ Шаблон:Cite journal
- ↑ Шаблон:Cite journal
- ↑ Шаблон:Cite journal
