Active Pharmaceutical Ingredients Transportation and Release from Aerogel Particles Processes Modeling

Abstract

In this work, active pharmaceutical ingredients release from aerogel particles and active pharmaceutical ingredients transportation processes were investigated. Experimental studies were carried out on the release of various types of active pharmaceutical ingredients from various types of aerogel particles. Release curves were obtained. A hybrid model using the lattice Boltzmann method and a cellular automata approach to simulate the release of active pharmaceutical ingredients from aerogel particles and active pharmaceutical ingredients transport processes is proposed. The proposed model can be used in new drug development, which allows partially replacing full-scale experiments with computational ones, therefore reducing the experimental studies cost.

Mathematical and Computer Modeling as a Novel Approach for the Accelerated Development of New Inhalation and Intranasal Drug Delivery Systems

“…In addition, one of the advantages of the CA approach is the ability to combine different CA models. In [7], a CA model was implemented that described the release of melatonin in a model nasal cavity during the deposition of aerogel particles based on chitosan. Thus, it was possible to develop a unified CA model of the structure of the dosage form and the process of dissolution and transportation of the active substance in it.…”

“…This approach involves the application of computational fluid dynamics methods, which enable the accurate prediction of the trajectory and deposition place of drug particles within the nasal cavity or lungs [6]. Furthermore, the development of cellular automaton models provides valuable insights into the release kinetics of drug substances from dosage forms [7]. Additionally, there are existing models [8] that comprehensively describe the pharmacokinetics and pharmacodynamics of these pharmaceutical drugs.…”

Chitosan Aerogel Particles as Nasal Drug Delivery Systems

“…The development of nasal drug delivery systems is a complex and promising area of modern science due to their advantages. Nasal delivery systems provide a rapid therapeutic effect, high drug stability, improved physicochemical properties (water solubility and bioavailability), and the masking of taste or smell [ 1 , 2 ]. These advantages are associated with the high permeability of the nasal mucosa and the extensive vascular system of the nasal cavity [ 3 ].…”

“…Dry nasal delivery systems, such as microparticles, delay mucociliary clearance, thereby increasing the contact time between the drug delivery system and the mucosa compared to liquid formulations [ 1 , 3 ]. This article presents the development of dry nasal drug delivery systems based on biopolymer aerogels.…”

“…The peculiarity of this technology is that during the drying process, there is no “gas-liquid” phase boundary in the pores of the material. This allows the preservation of the developed structure of gels [ 1 ]. Thus, it is possible to obtain aerogels with a high specific surface area.…”