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Abbreviations BBB: Bloodbrain barrier CNS: Central nervous system FMO: Frontier molecular orbital GPx4: Glutathione peroxidase 4 MD: Molecular dynamic MM/GBSA: Molecular mechanics with generalized Born and surface area solvation MolSA: Molecular surface area MS: Multiple sclerosis PSA: Polar surface area QSAR: Quantitative structureactivity relationship rGyr: Radius of gyration RMS: Root mean squared RMSD: Root mean square deviation RMSF: Root mean square fluctuation SASA: Solvent accessible surface area References B.K.T

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The lack of equitable access, behavioral and cultural change, regulation of quality of commercial products and methodological fortification of the evidence base are rather numerous issues that are to be solved yet they can be addressed in collaboration of the research, policy, industry and civil society

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