Metal-decorated Graphdiyne Nanocarriers for Favipiravir Delivery: A DFT Investigation

Key Points

• The research aims to investigate how graphdiyne nanocarriers can improve the delivery and efficacy of favipiravir.
• Utilized density functional theory (DFT) calculations for modeling nanocarrier properties.
• Examined the interaction between metal-decorated graphdiyne and favipiravir for enhanced delivery mechanisms.
• Demonstrated improved stability of favipiravir when delivered via graphdiyne nanocarriers.
• Increased predicted bioavailability compared to traditional delivery methods.