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一个用于化学蛋白质组学的数据库:ChEBI。

A database for chemical proteomics: ChEBI.

作者信息

de Matos Paula, Adams Nico, Hastings Janna, Moreno Pablo, Steinbeck Christoph

机构信息

European Bioinformatics Institute, Hinxton, UK.

出版信息

Methods Mol Biol. 2012;803:273-96. doi: 10.1007/978-1-61779-364-6_19.

Abstract

Chemical proteomics is concerned with the identification of protein targets interacting with small molecules. Hence, the availability of a high quality and free resource storing small molecules is essential for the future development of the field. The Chemical Entities of Biological Interest (ChEBI) database is one such database. The scope of ChEBI includes any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., identifiable as a separately distinguishable entity. These entities in question are either products of nature or synthetic products used to intervene in the processes of living organisms. In addition, ChEBI contains a chemical ontology which relates the small molecules with each other thereby making it easier for users to discover data. The ontology also describes the biological roles that the small molecules are active in. The ChEBI database also provides a central reference point in which to access a variety of bioinformatics data points such as pathways and their biochemical reactions; expression data; protein sequence and structures.

摘要

化学蛋白质组学关注与小分子相互作用的蛋白质靶点的鉴定。因此,拥有一个存储小分子的高质量免费资源对于该领域的未来发展至关重要。具有生物学意义的化学实体(ChEBI)数据库就是这样一个数据库。ChEBI的范围包括任何在结构上或同位素上不同的原子、分子、离子、离子对、自由基、自由基离子、络合物、构象异构体等,这些都可被识别为单独可区分的实体。这些相关实体要么是天然产物,要么是用于干预生物体过程的合成产物。此外,ChEBI包含一个化学本体论,它将小分子相互关联起来,从而便于用户发现数据。该本体论还描述了小分子所发挥作用的生物学角色。ChEBI数据库还提供了一个核心参考点,用于访问各种生物信息学数据点,如通路及其生化反应、表达数据、蛋白质序列和结构。

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