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DrugBank: a comprehensive resource for in silico drug discovery and exploration
DrugBank is a unique bioinformatics/cheminformatics resource that combines detailed drug (i.e. chemical) data with comprehensive drug target (i.e. protein) information. The database contains >4100 drug entries including >800 FDA approved small molecule and biotech drugs as well as >3200 exp...
Autores principales: | , , , , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
Oxford University Press
2006
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1347430/ https://www.ncbi.nlm.nih.gov/pubmed/16381955 http://dx.doi.org/10.1093/nar/gkj067 |
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author | Wishart, David S. Knox, Craig Guo, An Chi Shrivastava, Savita Hassanali, Murtaza Stothard, Paul Chang, Zhan Woolsey, Jennifer |
author_facet | Wishart, David S. Knox, Craig Guo, An Chi Shrivastava, Savita Hassanali, Murtaza Stothard, Paul Chang, Zhan Woolsey, Jennifer |
author_sort | Wishart, David S. |
collection | PubMed |
description | DrugBank is a unique bioinformatics/cheminformatics resource that combines detailed drug (i.e. chemical) data with comprehensive drug target (i.e. protein) information. The database contains >4100 drug entries including >800 FDA approved small molecule and biotech drugs as well as >3200 experimental drugs. Additionally, >14 000 protein or drug target sequences are linked to these drug entries. Each DrugCard entry contains >80 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data. Many data fields are hyperlinked to other databases (KEGG, PubChem, ChEBI, PDB, Swiss-Prot and GenBank) and a variety of structure viewing applets. The database is fully searchable supporting extensive text, sequence, chemical structure and relational query searches. Potential applications of DrugBank include in silico drug target discovery, drug design, drug docking or screening, drug metabolism prediction, drug interaction prediction and general pharmaceutical education. DrugBank is available at . |
format | Text |
id | pubmed-1347430 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2006 |
publisher | Oxford University Press |
record_format | MEDLINE/PubMed |
spelling | pubmed-13474302006-01-25 DrugBank: a comprehensive resource for in silico drug discovery and exploration Wishart, David S. Knox, Craig Guo, An Chi Shrivastava, Savita Hassanali, Murtaza Stothard, Paul Chang, Zhan Woolsey, Jennifer Nucleic Acids Res Article DrugBank is a unique bioinformatics/cheminformatics resource that combines detailed drug (i.e. chemical) data with comprehensive drug target (i.e. protein) information. The database contains >4100 drug entries including >800 FDA approved small molecule and biotech drugs as well as >3200 experimental drugs. Additionally, >14 000 protein or drug target sequences are linked to these drug entries. Each DrugCard entry contains >80 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data. Many data fields are hyperlinked to other databases (KEGG, PubChem, ChEBI, PDB, Swiss-Prot and GenBank) and a variety of structure viewing applets. The database is fully searchable supporting extensive text, sequence, chemical structure and relational query searches. Potential applications of DrugBank include in silico drug target discovery, drug design, drug docking or screening, drug metabolism prediction, drug interaction prediction and general pharmaceutical education. DrugBank is available at . Oxford University Press 2006-01-01 2005-12-28 /pmc/articles/PMC1347430/ /pubmed/16381955 http://dx.doi.org/10.1093/nar/gkj067 Text en © The Author 2006. Published by Oxford University Press. All rights reserved |
spellingShingle | Article Wishart, David S. Knox, Craig Guo, An Chi Shrivastava, Savita Hassanali, Murtaza Stothard, Paul Chang, Zhan Woolsey, Jennifer DrugBank: a comprehensive resource for in silico drug discovery and exploration |
title | DrugBank: a comprehensive resource for in silico drug discovery and exploration |
title_full | DrugBank: a comprehensive resource for in silico drug discovery and exploration |
title_fullStr | DrugBank: a comprehensive resource for in silico drug discovery and exploration |
title_full_unstemmed | DrugBank: a comprehensive resource for in silico drug discovery and exploration |
title_short | DrugBank: a comprehensive resource for in silico drug discovery and exploration |
title_sort | drugbank: a comprehensive resource for in silico drug discovery and exploration |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1347430/ https://www.ncbi.nlm.nih.gov/pubmed/16381955 http://dx.doi.org/10.1093/nar/gkj067 |
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