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学术文献

Drugbank

  • 更新日期:2022-04-28
  • 查看次数:1370

详细介绍

DrugBank数据库是阿尔伯塔大学将详细的药物数据和全面的药物目标信息结合起来,结果都是有实验验证过的,真实可靠的生物信息学和化学信息学数据库。


DrugBank的角色主要有两个:

①临床导向的药品百科全书。DrugBank能够提供关于药品,药品靶点和药物作用的生物或生理结果的详细、最新、定量分析或分子量的信息。

②化学导向的药品数据库。DrugBank能够提供许多内置的工具,用于查看、排序、搜索和提取文本、图像、序列或结构数据。自数据库首次发布信息起,DrugBank已被广泛应用于计算机检索药物、药物“复原”、计算机检索药物结构数据、药物对接或筛选、药物代谢预测、药物靶点预测和一般制药教育。

DrugBank Online 最新版本(5.1.9 版,2022 年 1 月 3 日发布)包含 14,624 个药物条目,其中包括 2,725 种已批准的小分子药物、1,518 种已批准的生物制剂(蛋白质、肽、疫苗和过敏原)、132 种营养保健品和超过 6,677 种实验药物(发现阶段)药物。此外,5,271 个非冗余蛋白质(即药物靶标/酶/转运蛋白/载体)序列与这些药物条目相关联。每个条目包含 200 多个数据字段,其中一半信息专用于药物/化学数据,另一半专用于药物靶标或蛋白质数据。


微信图片_20220428162857.png

从主页面我们可以看出,检索方式有两种,一种是专门的search模块,一种是主页快速搜索。

其中Chemical structure允许用户绘制(使用Marvin Sketch小程序或Chem Sketch小程序)或写下(SMILES字符串)化合物,右侧可以设置检索相似值等,对结构式进行模糊检索,可以找到与目标结构式相近的药物。

通过Drugbank 数据库的各项功能可以帮助我们尽快的熟悉疾病相关药物的信息,查看相应的成分、产地和价格,筛选所需药物,为了下一步实验进行仿制药or新药的研发都有一定的帮助。希望大家使用愉快!


DrugBank Online is a comprehensive, free-to-access, online database containing information on drugs and drug targets. As both a bioinformatics and a cheminformatics resource, we combine detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. DrugBank Online is widely used by the drug industry, medicinal chemists, pharmacists, physicians, students and the general public. Because of its broad scope, comprehensive referencing, and detailed data descriptions, DrugBank is enabling major advancements across the data-driven medicine industry.


DrugBank Online is offered to the public as a free-to-access resource. Use and re-distribution of the content of DrugBank Online or the DrugBank Data, in whole or in part, for any purpose requires a license. Academic users may apply for a free license for certain use cases and all other users require a paid license.


We ask that users who make use of DrugBank Online or DrugBank Data as part or your research cite the DrugBank manuscript in any resulting publications.


DRUGBANK HISTORY

DrugBank started in 2006 in Dr. David Wishart’s lab at the University of Alberta. It began as a project to help academic researchers get detailed structured information about drugs. In 2011 it became a part of The Metabolomics Innovation Center (TMIC). The project continued to grow in scope and popularity and was spun out into OMx Personal Health Analytics Inc in 2015.


The original DrugBank project was funded by the the Canadian Institutes of Health Research (award #111062), Alberta Innovates - Health Solutions, and by The Metabolomics Innovation Centre (TMIC), a nationally-funded research and core facility that supports a wide range of cutting-edge metabolomic studies. TMIC is funded by Genome Alberta, Genome British Columbia, and Genome Canada, a not-for-profit organization that is leading Canada's national genomics strategy with funding from the federal government.


The latest release of DrugBank Online (version 5.1.9, released 2022-01-03) contains 14,624 drug entries including 2,725 approved small molecule drugs, 1,518 approved biologics (proteins, peptides, vaccines, and allergenics), 132 nutraceuticals and over 6,677 experimental (discovery-phase) drugs. Additionally, 5,271 non-redundant protein (i.e. drug target/enzyme/transporter/carrier) sequences are linked to these drug entries. Each entry contains more than 200 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data.