Karbhal Rajiv, Sawant Sangeeta, Kulkarni-Kale Urmila
Bioinformatics Centre, Savitribai Phule Pune University, Pune 411007, India.
Department of Natural Sciences and Environmental Health, University of Southeastern Norway, Gullbringvegen 36, 3800 Bø, Norway.
J Bioinform Comput Biol. 2024 Apr;22(2):2450005. doi: 10.1142/S0219720024500057. Epub 2024 May 22.
Enzymes catalyze diverse biochemical reactions and are building blocks of cellular and metabolic pathways. Data and metadata of enzymes are distributed across databases and are archived in various formats. The enzyme databases provide utilities for efficient searches and downloading enzyme records in batch mode but do not support organism-specific extraction of subsets of data. Users are required to write scripts for parsing entries for customized data extraction prior to downstream analysis. Integrated Customized Extraction of Enzyme Data (iCEED) has been developed to provide organism-specific customized data extraction utilities for seven commonly used enzyme databases and brings these resources under an integrated portal. iCEED provides dropdown menus and search boxes using typehead utility for submission of queries as well as enzyme class-based browsing utility. A utility to facilitate mapping and visualization of functionally important features on the three-dimensional (3D) structures of enzymes is integrated. The customized data extraction utilities provided in iCEED are expected to be useful for biochemists, biotechnologists, computational biologists, and life science researchers to build curated datasets of their choice through an easy to navigate web-based interface. The integrated feature visualization system is useful for a fine-grained understanding of the enzyme structure-function relationship. Desired subsets of data, extracted and curated using iCEED can be subsequently used for downstream processing, analyses, and knowledge discovery. iCEED can also be used for training and teaching purposes.
酶催化各种生化反应,是细胞和代谢途径的组成部分。酶的数据和元数据分布在多个数据库中,且以各种格式存档。酶数据库提供了用于高效搜索和批量下载酶记录的工具,但不支持按生物体特定提取数据子集。用户需要编写脚本来解析条目以进行定制数据提取,然后才能进行下游分析。集成定制酶数据提取工具(iCEED)已被开发出来,为七个常用的酶数据库提供按生物体特定的定制数据提取工具,并将这些资源整合到一个集成门户之下。iCEED提供了下拉菜单和使用typehead工具的搜索框,用于提交查询以及基于酶类别的浏览工具。还集成了一个工具,用于促进在酶的三维(3D)结构上对功能重要特征进行映射和可视化。iCEED中提供的定制数据提取工具预计将对生物化学家、生物技术专家、计算生物学家和生命科学研究人员有用,他们可以通过易于操作的基于网络的界面构建自己选择的精选数据集。集成的特征可视化系统有助于对酶的结构-功能关系进行细粒度的理解。使用iCEED提取和整理的所需数据子集随后可用于下游处理、分析和知识发现。iCEED还可用于培训和教学目的。