Computational identification of potential dengue RdRp inhibitors through docking, ADMET, and molecular dynamics

Key Points

• Potential dengue RdRp inhibitors were identified, demonstrating significant binding affinity through docking studies.
• The study highlights key interactions as well as ADMET properties of selected compounds, ensuring their viability.
• Molecular dynamics simulations confirmed the stability of these interactions over time, indicating their effectiveness.
• These findings support the development of new antiviral agents targeted at reducing dengue transmission.