The blood-brain barrier (BBB) is a complex system controlling two-way substances
traffic between circulatory (cardiovascular) system and central nervous system (CNS).
It is almost perfectly crafted to regulate brain homeostasis and to permit selective transport of
molecules that are essential for brain function. For potential drug candidates, the CNSoriented
neuropharmaceuticals as well as for those of primary targets in the periphery, the extent
to which a substance in the circulation gains access to the CNS seems crucial. With the
advent of nanopharmacology, the problem of the BBB permeability for drug nano-carriers
gains new significance. Compared to some other fields of medicinal chemistry, the computational
science of nano-delivery is still premature to offer the black-box type solutions, especially
for the BBB-case. However, even its enormous complexity can spell out the physical
principles, and as such subjected to computation. The basic understanding of various
physicochemical parameters describing the brain uptake is required to take advantage of their
usage for the BBB-nano delivery. This mini-review provides a sketchy introduction of essential
concepts allowing application of computational simulation to the BBB-nano delivery design.
Keywords: Biological membrane, blood-brain barrier, brain delivery, computational, nanocarriers, neuropharmaceuticals.
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