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Structure-based computational assessment of Bacopa monnieri-derived compounds as potential dual target anti-seizure medications: An integrated docking and molecular dynamics simulation approach | Synapse
March 3, 2026
Structure-based computational assessment of Bacopa monnieri-derived compounds as potential dual target anti-seizure medications: An integrated docking and molecular dynamics simulation approach
UB
Uttara Bakshi
AD
Ashis Datta
Puntos clave
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.
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Bakshi et al. (Tue,) studied this question.
synapsesocial.com/papers/69a75b87c6e9836116a22f30
https://doi.org/https://doi.org/10.1016/j.jmgm.2026.109309