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Aerosol Drug Delivery Optimization by Computational Methods for the Characterization of Total and Regional Deposition of Therapeutic Aerosols in the Respiratory System

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The intake of medicines in form of aerosols is becoming increasingly popular, especially in the treatment of different lung diseases and allergies. In addition, there is a great interest to utilize the inhalation pathway for systemic therapy. Hence, determination of the required local distribution of inhaled therapeutic aerosols within the respiratory system is a key issue of modern aerosol drug design. In general, deposition characteristics of inhaled particles depend on the properties of the aerosols, the breathing mode and the geometry of the airways. All three parameters must be analyzed for the optimal design of therapeutic aerosols. A recommended way of drug inhalation may differ for various illnesses and patients. There are two different modeling directions for the description of deposition characteristics of inhaled drugs in the respiratory system. One way is the application of lung deposition models for the determination of total, regional and airway generation-specific deposition, and the other way is the usage of computational fluid dynamics techniques for the characterization of local deposition patterns, which, at present, cannot be applied to the whole respiratory system. This computational fluid dynamics approaches will be analyzed in another study. This work describes the general background of aerosol drug delivery optimization, summarizes previous important studies in the field, and provides a comprehensive discussion about numerical lung modeling and the salient features of the newest models and techniques. In the last part, the stochastic lung deposition model is applied to determine the optimal particle size and breathing technique for bronchial and pulmonary drug delivery.

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Keywords: Therapeutic aerosols; aerosol drug delivery optimization; distribution of deposition in the airways; optimal inhalation method; optimal particle size; respiratory tract models; stochastic lung deposition model

Document Type: Research Article

Affiliations: Hungarian Academy of Sciences KFKI Atomic Energy Research Institute, P.O. Box 49, H-1525 Budapest 114, Hungary.

Publication date: March 1, 2007

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  • Current Computer-Aided Drug Design aims to publish all the latest developments in drug design based on computational techniques. The field of computer-aided drug design has had extensive impact in the area of drug design. Current Computer-Aided Drug Design is an essential journal for all medicinal chemists who wish to be kept informed and up-to-date with all the latest and important developments in computer-aided methodologies and their applications in drug discovery. Each issue contains a series of timely, in-depth reviews written by leaders in the field, covering a range of computational techniques for drug design, screening, ADME studies, etc., providing excellent rationales for drug development.
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