ANTIAGE-DB

ANTIAGE-DB predicts the anti-aging potential of natural compounds by aggregating literature data and applying shape similarity comparisons and inverse virtual screening against Human Neutrophil Elastase (HNE), Hyaluronidase (Hyal), and Tyrosinase (Tyr).

Key Features:

• Literature-Based Data Compilation: Aggregates literature-reported inhibitory effects of natural products and their sources against HNE, Hyal, and Tyr.
• Enzyme-Targeted Inhibitory Assessment: Focuses on assessing inhibitory activity of compounds specifically against Human Neutrophil Elastase (HNE), Hyaluronidase (Hyal), and Tyrosinase (Tyr).
• Shape Similarity Comparison: Compares query compounds to a curated database of natural products with established inhibitory potential based on molecular shape similarity.
• Inverse Virtual Screening: Screens selected molecules against the three targeted enzymes (HNE, Hyal, Tyr) to predict potential inhibitory interactions.

Scientific Applications:

• Candidate Prioritization: Identifies natural-product candidates for further experimental validation of anti-aging activity.
• Mechanistic Enzyme Studies: Supports investigation of enzyme inhibition (HNE, Hyal, Tyr) as mechanisms underlying anti-aging effects.
• Chemical Space Exploration: Enables exploration of natural product chemical space to discover structurally similar compounds with potential anti-aging properties.

Methodology:

Compilation of literature data (1965–2020) on natural product inhibitory effects; shape similarity comparisons against a curated natural product database; inverse virtual screening of molecules against HNE, Hyal, and Tyr.