GMP,药品,药学,制药,新药,色谱,药品生产,中药,药材,原料药,医药,中间体,药用辅料

据说是目前世界上最大的药物数据库

时间: 2008-09-19 01:55:36 作者: 来源: 字号:
据说是目前世界上最大的药物数据库—DrugBank


中文简介:
这个数据库包括3000多种药物靶目标详细的化学、药理学、医学以及分子生物学信息,还包括4100种已经获准或正在实验中的药物产品。

David Wishart博士是DrugBank的设计者之一,目前在Alberta大学计算&生物科学系担任教授,同时也是药理系成员。在谈及该数据库时,Wishart博士认为没有其它同类数据库能与DrugBank媲美。事实的确如此,DrugBank为每一种药品提供了80多个方面的信息,包括品牌名、化学结构、蛋白和DNA序列、互联网上的相关链接、特征描述及详细的病理信息。另一方面,Wishart博士也谈到DrugBank的开发过程是极其艰辛的,他的团队在四年当中全面收集了新药发布相关的FDA报告、数据库及其它资源如蛋白数据库,还整理了十多种相关教科书,几百篇科技文献,近30种不同的电子数据库和至少20种应用程序,最终完成了数据库的构建。

DrugBank最大的特色是它支持全面而复杂的搜索,结合DrugBank可视化软件,这些工具能让科学家们非常容易的检索到新的药物靶目标、比较药物结构、研究药物机制以及探索新型药物。举个例子,如果有人得到了一种新病毒或致病菌的序列,他就可以利用DrugBank检索这些病毒或病菌上可能的蛋白质靶位点和作用于这些靶位点的药物,这就为医疗和药物开发带来了极大的便利。正因为具有如此强大的功能,DrugBank被称为“药物研发芯片” 再合适不过了。

该网站上的英文介绍(可能更准确,更新)
The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. The database contains nearly 4300 drug entries including >1,000 FDA-approved small molecule drugs, 113 FDA-approved biotech (protein/peptide) drugs, 62 nutraceuticals and >3,000 experimental drugs. Additionally, more than 6,000 protein (i.e. drug target) sequences are linked to these drug entries. Each DrugCard entry contains more than 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.

Please cite: Wishart DS et al., DrugBank: a comprehensive resource for in silico drug discovery and exploration. Nucleic Acids Res. 2006 1;34

Users may query DrugBank in any number of ways. The simple text query (above) supports general text queries of the entire textual component of the database. Clicking on the Browse button (on the DrugBank navigation panel above) generates a tabular synopsis of DrugBank's content. This browse view allows users to casually scroll through the database or re-sort its contents. Clicking on a given DrugCard button brings up the full data content for the corresponding drug. A complete explanation of all the DrugCard fields and sources is given here. The PharmaBrowse button allows users to browse through drugs as grouped by their indication. This is particularly useful for pharmacists and physicians, but also for pharmaceutical researchers looking for potential drug leads. The ChemQuery button allows users to draw (using a ChemSketch applet) or write (SMILES string) a chemical compound and to search DrugBank for chemicals similar or identical to the query compound. The TextQuery button supports a more sophisticated text search (partial word matches, case sensitive, misspellings, etc.) of the text portion of DrugBank. The SeqSearch button allows users to conduct BLASTP (protein) sequence searches of the 15,000 sequences contained in DrugBank. Both single and multiple sequence (i.e. whole proteome) BLAST queries are supported. The Data Extractor button opens an easy-to-use relational query search tool that allows users to select or search over various combinations of subfields. The Data Extractor is the most sophisticated search tool for DrugBank. Users may download selected text components and sequence data from DrugBank and track the latest DrugBank statistics by clicking on the Download button.
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啦!我们要好好的学习一下!
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