(P09-030-25) Vitamin B6 and Inositol Potentially Inhibit Neuronal Excitoxicity Associated With Ischemic Stroke – Molecular Docking Investigation

Objectives: The objective of the study is to investigate Lutein, Vitamin B6, Inositol, and Choline as potential inhibitors for N-methyl-D-aspartate (NMDA) receptor excitotoxicity following Ischemic Stroke using computational molecular docking methods.

Methods: Molecular docking modeling and analysis was performed using AutoDock Tool 4.2 version software to model the binding interaction and calculate the binding affinity between the NMDA receptor subunit N2B and the following micronutrient ligands: Lutein, Vitamin B6, Inositol, and Choline. The positive control ligand for the study was Glutamate, which is known to bind to the N2B subunit of the NMDA receptor.

Results: Among the 4 micronutrient binding interactions with the NMDA receptor, Vitamin B6 and Inositol demonstrated a strong binding interaction with a mean binding affinity of -6.46 kcal/mol and -6.34 kcal/mol respectively in comparison to the control, Glutamate, which had a mean binding affinity of -3.73 kcal/mol. Lutein and Choline interaction with the NMDA receptor had a low binding affinity and weak strength in binding interaction in comparison to other ligands with a mean binding affinity of -2.92 kcal/mol and -3.95 kcal/mol respectively.

Conclusions: The molecular docking findings identified Vitamin B6 and Inositol as potential excitotoxic-inhibitors of the NMDA receptor NB2 subunit. These findings suggest the neuroprotective effects of Vitamin B6 and Inositol may be potential therapeutic micronutrients to address excitotoxicity following cerebrovascular accidents and prevent the severity of neuronal damage and disability caused by Ischemic Stroke.

Funding Sources: None