A new Thiadiazole-triazine derivative: Structural investigation, DFT studies, ADME-T analysis and SARS-CoV-2 activity by docking simulation

Key Points

• SARS-CoV-2 activity was assessed through docking simulation, showing promising interactions.
• A new thiadiazole-triazine derivative underwent structural investigation and ADME-T analysis.
• Density Functional Theory (DFT) studies provided insights into molecular behavior and stability.
• This work highlights potential antiviral candidates that need further biological validation.