Abstract
Internet databases of small molecules, their enzymatic reactions, and metabolism have emerged as useful tools in food science. Database searching is also introduced as part of chemistry or enzymology courses for food technology students. Such resources support the search for information about single compounds and facilitate the introduction of secondary analyses of large datasets. Information can be retrieved from databases by searching for the compound name or structure, annotating with the help of chemical codes or drawn using molecule editing software. Data mining options may be enhanced by navigating through a network of links and cross-links between databases. Exemplary databases reviewed in this article belong to two classes: tools concerning small molecules (including general and specialized databases annotating food components) and tools annotating enzymes and metabolism. Some problems associated with database application are also discussed. Data summarized in computer databases may be used for calculation of daily intake of bioactive compounds, prediction of metabolism of food components, and their biological activity as well as for prediction of interactions between food component and drugs.
Highlights
Recent years have witnessed an unprecedented increase in the amount of data relating to the physicochemical properties, biological activity, enzyme-catalyzed reactions, and metabolism of chemical compounds, including food components
Traditional data sources still prevail in education, but online databases and programs may serve as auxiliary tools that create access to detailed information about specific compounds
Peptide sequences annotated in a single-letter code (FASTA format) may be translated into Simplifified Molecular Input Line Entry System (SMILES) or InChI using a recent version (2.4.1) of the OpenBabel program, but this option is a weak point of the program
Summary
Recent years have witnessed an unprecedented increase in the amount of data relating to the physicochemical properties, biological activity, enzyme-catalyzed reactions, and metabolism of chemical compounds, including food components. Databases of small molecules are recommended as educational tools for study fields other than chemistry, including food technology and human nutrition [15]. Tools designed for research into small molecules, such as databases, may support education in the fields of food technology and human nutrition. Individual databases and their content have been extensively reviewed in recent articles [4,5,6,7,8].
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