An Advanced in Silico Model to Optimize the Pharmacokinetic Studies ON25 Mg2+ – Releasing Porphyrin – Fullerene Nanoparticles in Brain Ischemic Disorders

Abstract

The In Silico study on neuropharmacokinetiks of some novel porphyrin-fullerene based 25Mg2+ - nanocarriers was performed with an aim to optimize the preclinical research path required for both prevention and correction of the brain ischemic stroke related metabolic disorders such us ATP deplete and its direct consequences. Thus, the local brain tissue hypoxia scenario are in a focus of this novel analytical approach suitable for prediction of some parameters of the 25Mg – magnetic isotope effect promoted antihypoxic activities as long as they relates upon delivery, distribution and intralization of the low toxic/amphiphilic Mg2+ – releasing nanoparticles of PMC16 type. This is the first report ever on mathematical model applied to predict and to prove a mere phenomenon of the “cellular pump” keeping the constant traffic of PMC16 particles towards a brain hypoxia area even when/if lowest concentration of pharmacophore were the case. For experimental verifications of the In Silico platform proposed, a combination of (a) the rat brain occlusion – promoted ischemic stroke model and (b) the capillary zone electrophoretic (CZE) quantification of PMC16-RX nanoparticles in cytosol fractions isolated from intact / penumbra / stroke brain areas, has been employed.