Xanthorrhizol derivatives as hyaluronidase inhibitors: In silicofragment-based drug design, in vitro evaluation and moleculardynamics simulations

Key Points

• Xanthorrhizol derivatives significantly inhibit hyaluronidase activity, providing compelling evidence for their potential as therapeutic agents.
• In vitro tests show over 80% inhibition of hyaluronidase at a specific concentration of xanthorrhizol derivatives.
• Molecular dynamics simulations support the binding interactions between the inhibitors and hyaluronidase, revealing key molecular interactions.
• This study highlights the promise of xanthorrhizol derivatives for therapeutic use, but further clinical testing is required.