DrugBank 6.0: the DrugBank Knowledgebase for 2024

Area of Science:

• Pharmacology
• Drug Discovery
• Bioinformatics

Background:

• DrugBank is a leading knowledge resource for drug and pharmaceutical information.
• The previous version was updated in 2018.
• The resource is widely utilized in biomedical research and clinical applications.

Purpose of the Study:

• To detail the significant enhancements and data expansions in the latest release of the DrugBank knowledgebase, version 6.0.
• To highlight the increased scope and depth of pharmaceutical data available to researchers.
• To showcase new features and data types improving drug discovery and development workflows.

Main Methods:

• Database expansion and curation of drug information.
• Integration of new data types including drug-target interactions, drug-drug interactions, and drug-food interactions.
• Inclusion of pathway visualizations, spectral data (MS/MS, NMR), and physicochemical properties (CCS, RT, RI).

Main Results:

• The number of FDA-approved drugs increased by 72% (to 4563), and investigational drugs by 38% (to 6231).
• Drug-drug interactions grew by 300% (to 1,413,413), and drug-food interactions by 200% (to 2475).
• New spectral and physicochemical data were added for over 9400 small molecule drugs, alongside expanded pathway information.

Conclusions:

• DrugBank 6.0 represents a substantial advancement in the comprehensiveness and utility of drug information resources.
• The expanded dataset and new features cater to a broader range of scientific disciplines, from medicinal chemistry to pharmacology.
• This updated resource is poised to accelerate drug discovery and development through enhanced data accessibility and detail.