ChronobioticsDB: The Database of Drugs and Compounds Modulating Circadian Rhythms

Area of Science:

• Chronobiology
• Pharmacoinformatics
• Bioinformatics

Background:

• Chronobiotics, substances modulating circadian rhythms, are pharmacologically diverse, including natural compounds, synthetic modulators, hypnotics, and hormones.
• Despite a long history, a unified classification and comprehensive knowledge repository for chronobiotics is lacking.
• Existing categorizations are fragmented, hindering research and clinical application.

Purpose of the Study:

• To develop the world's first curated, continuously updated, and publicly accessible online database of chronobiotic drugs.
• To address the fragmentation in chronobiotic knowledge by creating a centralized resource.
• To support advancements in chronobiology, chronomedicine, and pharmacoinformatics.

Main Methods:

• Construction of a relational database, ChronobioticsDB, using the Django framework and PostGreSQL.
• Data extraction and manual annotation from major scientific literature databases (PubMed, Google Scholar, Scopus, Web of Science).
• Integration with external chemical and biological databases (ChemSpider, DrugBank, UniProt, FDA) for comprehensive data enrichment.

Main Results:

• Development of a relational database, ChronobioticsDB, with a web interface.
• Each chronobiotic entry includes detailed compound information, molecular structure, SMILES, IUPAC name, and links to primary sources.
• Synchronization with multiple external databases ensures data completeness and accuracy.

Conclusions:

• ChronobioticsDB provides a robust, multifaceted resource for researchers and practitioners in chronobiology and related fields.
• The database facilitates a deeper understanding of chronobiotic compounds and their mechanisms.
• This initiative represents a significant step towards a unified understanding and application of chronobiotics.