Structure-based computational assessment of Bacopa monnieri-derived compounds as potential dual target anti-seizure medications: An integrated docking and molecular dynamics simulation approach

Key Points

• Potential anti-seizure medications derived from Bacopa monnieri were identified through computational modeling.
• Key findings include docking scores indicating strong binding affinity to dual targets within neuronal pathways.
• The approach utilized integrated docking and molecular dynamics simulations to predict compound interactions.
• These findings highlight novel therapeutic options for seizure management, warranting further biological validation.