Zeitschrift für klinische Toxikologie
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An Advanced In Silico Model to Optimize the Pharmacokinetic Studies ON 25Mg2+-Releasing Porphyrin-Fullerene Nanoparticles in Brain Ischemic Disorders

Valentin V Fursov, Daria Namestnikova, Dmitriy A Kuznetsov

The In Silico study on neuropharmacokinetiks of some novel porphyrin-fullerene based 25 Mg 2+ nanocarriers was performed to optimize the preclinical research path required for both prevention and correction of brain ischemic stroke-related metabolic disorders such us ATP depletion and its direct consequences. Thus, the local brain tissue hypoxia scenario is in a focus of this novel analytical approach suitable for the prediction of some parameters of the 25 Mg-magnetic isotope effect promoted antihypoxic activities as long as they relate upon delivery, distribution and intralization of the low toxic/amphiphilic Mg 2+ -releasing nanoparticles of PMC16 type. This is the first report ever on a mathematical model applied to predict and prove a mere phenomenon of the “cellular pump” keeping the constant traffic of PMC16 particles towards a brain hypoxia area even when/ if the 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.