Copyright OpenHelix. No use or reproduction without express written consent1
DrugBank A Database for Drug Discovery and Exploration Materials prepared by: Cynthia Perreault-Micale, Ph.D. Jennifer Williams, Ph.D. Updated: Q Version 2.0
Copyright OpenHelix. No use or reproduction without express written consent3 DrugBank Agenda Introduction & Credits Basic Search & Results Browsing Specialized Search Tools Additional Search Options Summary Exercises DrugBank:
Copyright OpenHelix. No use or reproduction without express written consent4 Explore Drugs, Targets, & Enzymes ADRA1A protein target alfuzosin (blocks prostate hyperplasia) CYP3A4 metabolizing enzyme DrugBank - free, web-based tool - integrates cheminformatics with bioinformatics - in silico drug exploration & discovery -developed by David Wishart & team (University of Alberta)
Chemically-centered tools Clinically-centered tools Copyright OpenHelix. No use or reproduction without express written consent5 DrugBank Niche Breadth Depth Access: homepage “Help” menu, “Citing DrugBank”
Copyright OpenHelix. No use or reproduction without express written consent6 Statistics small molecules erythromycin, ibuprofen, minoxidil, etc. nutraceuticals food/plant extracts: ginseng, kava, St. John’s wort biotech drugs recombinant proteins, monoclonal antibodies, etc. Scroll to t ransporters, enzymes, carriers, link outs, & more
Copyright OpenHelix. No use or reproduction without express written consent7 DrugCards Drug Info Enzymes Targets Transporters Carriers Comments Many info fields Disclaimer on “About” page Drug Name
Copyright OpenHelix. No use or reproduction without express written consent8 DrugCard Data Fields, Descriptions, & Sources Many fields Explains each data field Sources Many Sources Available
Copyright OpenHelix. No use or reproduction without express written consent9 Extensive Browsing & Searching Options Basic & Advanced searches: Chemical, Interaction Sequence & more Browsing menu options: Drug, Therapeutics, SNPs, Pathways, Class, Association
Copyright OpenHelix. No use or reproduction without express written consent10 More About DrugBank
Copyright OpenHelix. No use or reproduction without express written consent11 DrugBank “Downloads” Full Database Structures Sequences
Copyright OpenHelix. No use or reproduction without express written consent12 DrugBank Agenda DrugBank: Introduction & Credits Basic Search & Results Browsing Specialized Search Tools Additional Search Options Summary Exercises
Copyright OpenHelix. No use or reproduction without express written consent13 Basic Search triptan click
Copyright OpenHelix. No use or reproduction without express written consent14 Text Query Results Specific topics Full DrugCard
Copyright OpenHelix. No use or reproduction without express written consent15 DrugCard Details DrugCard sections & color-coding Scroll to many fields pick-list
Copyright OpenHelix. No use or reproduction without express written consent16 Similar Structures Chemicals similar to Almotriptan
Copyright OpenHelix. No use or reproduction without express written consent17 DrugCard, Identification, part 1 wire-frame ball-and-stick space-fill Rotate
Copyright OpenHelix. No use or reproduction without express written consent18 DrugCard, Identification, part 2
Copyright OpenHelix. No use or reproduction without express written consent19 DrugCard, Taxonomy, Pharmacology jump to section of DrugCard
Copyright OpenHelix. No use or reproduction without express written consent20 DrugCard, Pharmacoeconomics, Properties
Copyright OpenHelix. No use or reproduction without express written consent21 DrugCard, References FDA Label
Copyright OpenHelix. No use or reproduction without express written consent22 DrugCard, Interactions Link to DrugCard
Copyright OpenHelix. No use or reproduction without express written consent23 DrugCard, Targets
Copyright OpenHelix. No use or reproduction without express written consent24 DrugCard, Enzymes, Comments Add or view comments Scroll to:
Copyright OpenHelix. No use or reproduction without express written consent25 DrugBank Agenda DrugBank: Introduction & Credits Basic Search & Results Browsing Specialized Search Tools Additional Search Options Summary Exercises
Copyright OpenHelix. No use or reproduction without express written consent26 Browsing all drugs therapeutics gene SNP-drug interactions select drug-action pathways targets, enzymes, carriers & transporters chemical class
Copyright OpenHelix. No use or reproduction without express written consent27 Drug Browse Drug Categories: Display Features: Sort by: Browse menu Click for DrugCard
Copyright OpenHelix. No use or reproduction without express written consent28 Pharma Browse Major Category Minor Categories scroll for more click links to DrugCard Therapeutics Browse menu
Copyright OpenHelix. No use or reproduction without express written consent29 Geno Browse-ADR Gene-Drug Interaction Adverse Drug Reactions Drug Effects click Browse menu
Copyright OpenHelix. No use or reproduction without express written consent30 Geno Browse-FX Browse menu Drug Effects
Copyright OpenHelix. No use or reproduction without express written consent31 Pathway Browse Search pathways: Browse menu interactive pathway links to DrugCard Dicumarol
Copyright OpenHelix. No use or reproduction without express written consent32 Class Browse Browse menu Search drug classes: Acetaminophen Links to DrugCard
Copyright OpenHelix. No use or reproduction without express written consent33 Association Browse Browse menu Categories: Display Features:
Copyright OpenHelix. No use or reproduction without express written consent34 DrugBank Agenda DrugBank: Introduction & Credits Basic Search & Results Browsing Specialized Search Tools Additional Search Options Summary Exercises
Copyright OpenHelix. No use or reproduction without express written consent35 Specialized Search Tools
Copyright OpenHelix. No use or reproduction without express written consent36 ChemQuery: Monoisotopic Mass ChemQuery search types Search results ranked by mass
Copyright OpenHelix. No use or reproduction without express written consent37 ChemQuery: SMILES SMILES: a machine-readable format of chemical structures Click CN1C=CN=C1S Type Adjust Search results ranked by score
Copyright OpenHelix. No use or reproduction without express written consent38 ChemQuery: Structure Search Search options
Copyright OpenHelix. No use or reproduction without express written consent39 ChemQuery: Draw a Chemical, Select Options Help Click Use tools to draw your chemical... Default options
Copyright OpenHelix. No use or reproduction without express written consent40 ChemQuery: Structure Search Results chemicals similar to phenol
Copyright OpenHelix. No use or reproduction without express written consent41 Interax Interaction Search Multiple search types Example Acetaminophen; Allopurinol Click
Copyright OpenHelix. No use or reproduction without express written consent42 Interax Interaction Search - Interaction Lookup Sources links to DrugCards Key More info
Copyright OpenHelix. No use or reproduction without express written consent43 Interax Interaction Search - Multi Search Example Acetaminophen; Gefitinib Click Acenocoumarol; Dicumarol
Copyright OpenHelix. No use or reproduction without express written consent44 Interax Interaction Search - Food Interaction Example Acetaminophen; Allopurinol Click Sources
Copyright OpenHelix. No use or reproduction without express written consent45 DrugBank Agenda DrugBank: Introduction & Credits Basic Search & Results Browsing Specialized Search Tools Additional Search Options Summary Exercises
Copyright OpenHelix. No use or reproduction without express written consent46 Additional Search Options
Copyright OpenHelix. No use or reproduction without express written consent47 Text Query Box Help & Example Text Query on every DrugBank page Click here for instructions Or here indication:gout “gout” in the indication data field : RESTRICT QUERY
Copyright OpenHelix. No use or reproduction without express written consent48 Text Query Results
Copyright OpenHelix. No use or reproduction without express written consent49 Searchable Text Fields Scroll down text query page Many searchable data fields
Copyright OpenHelix. No use or reproduction without express written consent50 Sequence Search Access
Copyright OpenHelix. No use or reproduction without express written consent51 Sequence Search For Searches: Enter sequence Set parameters Select drug type & database Click “Submit” submit
Copyright OpenHelix. No use or reproduction without express written consent52 Data Extractor
Copyright OpenHelix. No use or reproduction without express written consent53 Data Extractor Query Page - An Example default scroll Select field here Selected fields added here
Click Copyright OpenHelix. No use or reproduction without express written consent54 Data Extractor Results Results meet search criteria
Copyright OpenHelix. No use or reproduction without express written consent55 DrugBank Agenda DrugBank: Introduction & Credits Basic Search & Results Browsing Specialized Search Tools Additional Search Options Summary Exercises
Copyright OpenHelix. No use or reproduction without express written consent56 DrugBank: a Deck of DrugCards alfuzosin (blocks prostate hyperplasia) ADRA1A protein target CYP3A4 metabolizing enzyme DrugCards Drug Name Many fields
Copyright OpenHelix. No use or reproduction without express written consent57 Browsing DrugBank Browse Drugs Browse Therapeutics Browse SNPs Browse Pathways Browse Targets, Enzymes, Carriers & Transporters Browse Chemical Class
Copyright OpenHelix. No use or reproduction without express written consent58 Searching DrugBank via Text benzene via Sequence via Chemistry Acetaminophen; Gefitinib Acenocoumarol; Dicumarol via All via Interaction
Copyright OpenHelix. No use or reproduction without express written consent59 DrugBank Summary chemical dataphysical datapharma databiology drug discovery drug development
Copyright OpenHelix. No use or reproduction without express written consent60 DrugBank Agenda DrugBank: Introduction & Credits Basic Search & Results Browsing Specialized Search Tools Additional Search Options Summary Exercises
Copyright OpenHelix. No use or reproduction without express written consent61