Essentials and Perspectives of Computational Modelling Assistance for CNS-oriented Nanoparticle-based Drug Delivery Systems

Author(s): Joanna Kisała, Kinga I. Hęclik, Krzysztof Pogocki, Dariusz Pogocki*.

Journal Name: Current Medicinal Chemistry

Volume 25 , Issue 42 , 2018

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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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Article Details

Year: 2018
Page: [5894 - 5913]
Pages: 20
DOI: 10.2174/0929867325666180517095742
Price: $58

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