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DrugBank 3.0: a comprehensive resource for 'omics' research on drugs.

Nucleic acids research (2010-11-10)
Craig Knox, Vivian Law, Timothy Jewison, Philip Liu, Son Ly, Alex Frolkis, Allison Pon, Kelly Banco, Christine Mak, Vanessa Neveu, Yannick Djoumbou, Roman Eisner, An Chi Guo, David S Wishart
ABSTRACT

DrugBank (http://www.drugbank.ca) is a richly annotated database of drug and drug target information. It contains extensive data on the nomenclature, ontology, chemistry, structure, function, action, pharmacology, pharmacokinetics, metabolism and pharmaceutical properties of both small molecule and large molecule (biotech) drugs. It also contains comprehensive information on the target diseases, proteins, genes and organisms on which these drugs act. First released in 2006, DrugBank has become widely used by pharmacists, medicinal chemists, pharmaceutical researchers, clinicians, educators and the general public. Since its last update in 2008, DrugBank has been greatly expanded through the addition of new drugs, new targets and the inclusion of more than 40 new data fields per drug entry (a 40% increase in data 'depth'). These data field additions include illustrated drug-action pathways, drug transporter data, drug metabolite data, pharmacogenomic data, adverse drug response data, ADMET data, pharmacokinetic data, computed property data and chemical classification data. DrugBank 3.0 also offers expanded database links, improved search tools for drug-drug and food-drug interaction, new resources for querying and viewing drug pathways and hundreds of new drug entries with detailed patent, pricing and manufacturer data. These additions have been complemented by enhancements to the quality and quantity of existing data, particularly with regard to drug target, drug description and drug action data. DrugBank 3.0 represents the result of 2 years of manual annotation work aimed at making the database much more useful for a wide range of 'omics' (i.e. pharmacogenomic, pharmacoproteomic, pharmacometabolomic and even pharmacoeconomic) applications.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Polymyxin B sulfate salt
Sigma-Aldrich
Sulfamethazine, 99.0-101.0% (on dried basis)
Sigma-Aldrich
Spectinomycin, Ready Made Solution, 100 mg/mL in DMSO/H2O, 1:1
Sigma-Aldrich
Rifaximin
Sigma-Aldrich
Rifapentine
Sigma-Aldrich
Naftifine hydrochloride
Sigma-Aldrich
Teicoplanin
Sigma-Aldrich
Tetracycline, 98.0-102.0% (HPLC)
Sigma-Aldrich
Spectinomycin dihydrochloride pentahydrate, potency: ≥603 μg per mg
Sigma-Aldrich
Trimethoprim, ≥98.5%
Sigma-Aldrich
Sulfamethazine sodium salt, ≥98%
Sigma-Aldrich
Nitrofurantoin, 98.0-102.0% (EP, UV)
Sigma-Aldrich
Tobramycin sulfate salt, aminoglycoside antibiotic
Sigma-Aldrich
Sulfameter
Sigma-Aldrich
Sulfaguanidine
Sigma-Aldrich
Tobramycin, Aminoglycoside antibiotic
Sigma-Aldrich
Rifampicin, ≥95% (HPLC), powder or crystals
Sigma-Aldrich
Thiabendazole, ≥99%, powder
Sigma-Aldrich
Tazobactam sodium salt, β-lactamase inhibitor
Sigma-Aldrich
Thimerosal, 97.0-101.0% (on dried substance, titration)
Sigma-Aldrich
Vincristine sulfate salt, 95.0-105.0% (HPLC), powder or crystals
Sigma-Aldrich
Sulfadiazine, 99.0-101.0%
Sigma-Aldrich
Thio-TEPA
Sigma-Aldrich
Ticarcillin disodium salt
Sigma-Aldrich
Trimethoprim lactate salt, ≥98%
Sigma-Aldrich
Swainsonine, from Metarrhizium anisopliae, ≥98% (TLC)
Sigma-Aldrich
Terbinafine hydrochloride
Sigma-Aldrich
Penciclovir