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OpenHelix

A chemoinformatics and bioinformatics resource

Tutorial and training materials by OpenHelix

Learn to use DrugBank, a free, web-based tool that combines chemoinformatics with bioinformatics. Explore both the chemical and biological nature of drugs in silico using DrugCards, the functional units of DrugBank. Each DrugCard represents a unique drug in the database and contains over 100 information fields collated from numerous scientific sources. DrugCards provide extensive information on approved drugs, biotech drugs, small molecules, experimental drugs, and nutraceuticals, yet DrugCards are easy to read and shuffle through. You can query DrugBank with either chemical or biological terms, including the protein targets of drugs or the enzymes that metabolize them. A new feature correlates genetic single nucleotide polymorphisms with adverse drug reactions and drug effectiveness. Ideal for the student, scientist, drug discoverer, clinician, pharmacist, or general public, DrugBank will help you find the answers to your questions about pharmaceuticals and their underlying biological effects.
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You'll learn:

  • to understand and interpret DrugCard data
  • how to query and browse through DrugBank information
  • how to perform basic searches for specific drug information
  • to perform advanced queries via text, sequence, chemistry, structure, and other parameters


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Recent BioMed Central research articles citing this resource

Cao Chen et al., GWAS and drug targets SNP-SIG 2013: Identification and annotation of genetic variants in the context of structure, function, and disease SNP-SIG 2013: Identification and annotation of genetic variants in the context of structure, function, and disease. BMC Genomics (2014) doi:10.1186/1471-2164-15-S4-S5

Fu Peng et al., Target network differences between western drugs and Chinese herbal ingredients in treating cardiovascular disease Selected articles on Computational Vaccinology 2013 The 3rd ISV Pre-conference Computational Vaccinology Workshop (ICoVax 2013). BMC Bioinformatics (2014) doi:10.1186/1471-2105-15-S4-S3

Khanna Varun et al., A data mining approach for identifying novel target specific small molecules Proceedings of the International Conference on Human Genetics and 39th Annual Meeting of Indian Society of Human Genetics International Conference on Human Genetics and 39th Annual Meeting of the Indian Society of Human Genetics (ISHG). Molecular Cytogenetics (2014) doi:10.1186/1755-8166-7-S1-P84

Ruddigkeit Lars et al., Expanding the fragrance chemical space for virtual screening. Journal of Cheminformatics (2014) doi:10.1186/1758-2946-6-27

Wang Yong et al., DanQi Pill protects against heart failure through the arachidonic acid metabolism pathway by attenuating different cyclooxygenases and leukotrienes B4 Basic research. BMC Complementary and Alternative Medicine (2014) doi:10.1186/1472-6882-14-67

More about the resource:

DrugBank is developed by David Wisharts group in the Departments of Computing Science and Biological Sciences at the University of Alberta in Edmonton, Alberta. One of the most unique features of DrugBank is that it combines detailed drug information with drug target information. It contains nearly 5000 drug entries including FDA-approved drugs, nutraceuticals, and experimental drugs. This comprehensive resource bridges the gap between clinically-oriented and chemically-oriented drug databases by combining in depth knowledge about drugs and their targets with more chemical-based tools allowing for image, sequence and structure analysis.


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The materials and slides offered can not be resold or used for profit purposes. Reproduction, distribution and/or use is strictly limited to instructional purposes only and can not be used for for monetary gain or wide distribution.
Copyright 2009, OpenHelix, LLC.

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