Abstract
Permeation models are often used to determine diffusion properties of a drug through a membrane as it is released from a delivery system. In order to circumvent problematic in vivo studies, diffusion studies can be performed in vitro, using (semi-)synthetic membranes. In this study salicylic acid permeation was studied, employing a nitrocellulose membrane. Both saturated and unsaturated salicylic acid solutions were studied. Additionally, the transport of salicylic acid through the nitrocellulose membrane was simulated by computational modelling. Experimental observations could be explained by the transport mechanism that was revealed by dissipative particle dynamics (DPD) simulations. The DPD model was developed with the aid of atomistic scale molecular dynamics (AA-MD). The choice of a suitable model membrane can therefore, be predicted by AA-MD and DPD simulations. Additionally, the difference in the magnitude of release from saturated and unsaturated salicylic acid and solutions could also be observed with DPD. Moreover, computational studies can reveal hidden variables such as membrane-permeant interaction that cannot be measured experimentally. A recommendation is made for the development of future model permeation membranes is to incorporate computational modelling to aid the choice of model.
Highlights
Transdermal delivery provides several advantages over other routes of drug administration
No differences in the structure of nitrocellulose membranes were observed at the different pH values, indicating that the pore size of the membrane was independent of pH
The study revealed that an increase in pH did not significantly affect the amount of salicylic acid that was released from unsaturated solutions
Summary
Transdermal delivery provides several advantages over other routes of drug administration. These include the avoidance of regular oral dosing, circumvention of first-bypass hepatic metabolism and improvement of patient compliance [1]. Transdermal diffusion studies are often conducted by in vitro studies, utilizing excised skin tissue or (semi-)synthetic membranes. In vitro tests are preferred to in vivo test methods that often demonstrate large intra- and intersubject variation, high cost and ethical issues. Large intra- and intersubject variability of donor skin occurs and tissue preparation can damage the skin membrane [9]. Skin models are the most realistic model to evaluate transdermal studies, it is difficult to find donors and skin is a scarce resource. Ethical approval is often a difficult hurdle to cross
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