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药物银行3.0:药物“组学”研究的综合资源。

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

作者信息

Knox Craig, Law Vivian, Jewison Timothy, Liu Philip, Ly Son, Frolkis Alex, Pon Allison, Banco Kelly, Mak Christine, Neveu Vanessa, Djoumbou Yannick, Eisner Roman, Guo An Chi, Wishart David S

机构信息

Department of Computing Science, University of Alberta, Edmonton, AB, Canada.

出版信息

Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41. doi: 10.1093/nar/gkq1126. Epub 2010 Nov 8.

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.

摘要

药物银行(http://www.drugbank.ca)是一个注释丰富的药物及药物靶点信息数据库。它包含了小分子和大分子(生物技术)药物在命名法、本体论、化学、结构、功能、作用、药理学、药代动力学、代谢及药物特性等方面的大量数据。它还包含了这些药物作用的目标疾病、蛋白质、基因和生物体的全面信息。药物银行于2006年首次发布,已被药剂师、药物化学家、药物研究人员、临床医生、教育工作者及普通大众广泛使用。自2008年上次更新以来,药物银行通过添加新药、新靶点以及每个药物条目增加40多个新数据字段(数据“深度”增加40%)得到了极大扩展。这些新增的数据字段包括药物作用途径示意图、药物转运体数据、药物代谢物数据、药物基因组学数据、药物不良反应数据、药物代谢及毒性数据、药代动力学数据、计算属性数据和化学分类数据。药物银行3.0还提供了扩展的数据库链接、改进的药物相互作用和食物-药物相互作用搜索工具、查询和查看药物途径的新资源以及数百个带有详细专利、定价和制造商数据的新药条目。这些新增内容辅以现有数据在质量和数量上的提升,特别是在药物靶点、药物描述和药物作用数据方面。药物银行3.0是两年人工注释工作的成果,旨在使该数据库对广泛的“组学”(即药物基因组学、药物蛋白质组学、药物代谢组学乃至药物经济学)应用更有用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7373/3013709/9777f9e30b04/gkq1126f1.jpg

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