Kanehisa Minoru, Goto Susumu, Hattori Masahiro, Aoki-Kinoshita Kiyoko F, Itoh Masumi, Kawashima Shuichi, Katayama Toshiaki, Araki Michihiro, Hirakawa Mika
Bioinformatics Center, Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan.
Nucleic Acids Res. 2006 Jan 1;34(Database issue):D354-7. doi: 10.1093/nar/gkj102.
The increasing amount of genomic and molecular information is the basis for understanding higher-order biological systems, such as the cell and the organism, and their interactions with the environment, as well as for medical, industrial and other practical applications. The KEGG resource (http://www.genome.jp/kegg/) provides a reference knowledge base for linking genomes to biological systems, categorized as building blocks in the genomic space (KEGG GENES) and the chemical space (KEGG LIGAND), and wiring diagrams of interaction networks and reaction networks (KEGG PATHWAY). A fourth component, KEGG BRITE, has been formally added to the KEGG suite of databases. This reflects our attempt to computerize functional interpretations as part of the pathway reconstruction process based on the hierarchically structured knowledge about the genomic, chemical and network spaces. In accordance with the new chemical genomics initiatives, the scope of KEGG LIGAND has been significantly expanded to cover both endogenous and exogenous molecules. Specifically, RPAIR contains curated chemical structure transformation patterns extracted from known enzymatic reactions, which would enable analysis of genome-environment interactions, such as the prediction of new reactions and new enzyme genes that would degrade new environmental compounds. Additionally, drug information is now stored separately and linked to new KEGG DRUG structure maps.
日益增长的基因组和分子信息是理解高阶生物系统(如细胞和生物体)及其与环境的相互作用的基础,也是医学、工业和其他实际应用的基础。KEGG资源(http://www.genome.jp/kegg/)提供了一个参考知识库,用于将基因组与生物系统联系起来,分为基因组空间中的构建模块(KEGG GENES)和化学空间中的构建模块(KEGG LIGAND),以及相互作用网络和反应网络的连线图(KEGG PATHWAY)。KEGG BRITE这第四个组件已正式添加到KEGG数据库套件中。这反映了我们将功能解释计算机化的尝试,作为基于关于基因组、化学和网络空间的层次结构化知识进行通路重建过程的一部分。根据新的化学基因组学计划,KEGG LIGAND的范围已大幅扩展,以涵盖内源性和外源性分子。具体而言,RPAIR包含从已知酶促反应中提取的经过整理的化学结构转化模式,这将能够分析基因组与环境的相互作用,例如预测降解新环境化合物的新反应和新酶基因。此外,药物信息现在单独存储并与新的KEGG DRUG结构图链接。