AODB

AODB curates a comprehensive, manually curated repository of antioxidants comprising 56,666 small molecules, 1,480 peptides, and 998 proteins with annotated chemical structures, assay records, computable physicochemical properties, and ADMET profiles to support biochemical, computational, and applied antioxidant research.

Key Features:

• Extensive Data Collection: Contains 56,666 small molecules, 1,480 antioxidant peptides, and 998 antioxidant proteins with source information.
• Detailed Annotations: Provides chemical structures, names, experimental assay records for antioxidant activities, computable physicochemical properties, ADMET profiles, and source annotations for each entry.
• Search Capabilities: Supports text search and mining, 2D and 3D chemical structure searches, and a BLAST-based protein sequence search for sequence alignment and homolog identification.
• Curation and Updates: Entries are manually curated and the database is updated annually.

Scientific Applications:

• Compound discovery: Identifies candidate antioxidant small molecules, peptides, and proteins for health-promoting products and formulations.
• Mechanistic investigation: Supports studies into biochemical mechanisms underlying antioxidant activity using annotated assay records and molecular properties.
• Product development: Informs development of nutraceuticals, dietary supplements, and cosmetic formulations with antioxidant functionality.
• Computational modeling: Enables computational studies and in silico prediction of antioxidant behavior using computed physicochemical properties and ADMET profiles.

Methodology:

Computational methods include computation of physicochemical properties and ADMET profiles, text search and mining, 2D and 3D chemical structure searches, and BLAST-based protein sequence search.