Computational Model of NMR Molecular Dynamics for the Analysis of Blood Brain Barrier

Abstract

In recent years, tremendous attention, and efforts are focused on the development of novel drug delivery systems to improve health care. Substantial improvement of current therapies has necessitated the use of therapeutic modalities that allow for efficient and site-specific transport of drugs to the target tissues. However, there are enormous barriers that a drug molecule must overcome before it reaches its target site within the body. Therefore, discovery of new modalities allowing for effective drug delivery to the brain and central nervous system (CNS) is of great need and importance for treatment of neurodegenerative disorders. In this study, we have solved the time dependent Bloch NMR flow equation analytically for the analysis of glucose content, total protein content and blood cell count in the CNS and brain using MRI experimental data. The associated Laguerre polynomials obtained are applied to evaluate biological flow in the central nervous system. The application of fluid velocity, the NMR relaxation times and the path length for biological flow in the central nervous system are demonstrated.