Computational pharmaceutics: application of molecular modeling in drug delivery

Defang Ouyang (Editor), Sean C. Smith (Editor)

Research output: Book/ReportAnthology

Abstract

Molecular modeling techniques have been widely used in drug discovery fields for rational drug design and compound screening. Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level. Computational pharmaceutics enables us to understand the mechanism of drug delivery, and to develop new drug delivery systems.
The book discusses the modeling of different drug delivery systems, including cyclodextrins, solid dispersions, polymorphism prediction, dendrimer-based delivery systems, surfactant-based micelle, polymeric drug delivery systems, liposome, protein/peptide formulations, non-viral gene delivery systems, drug-protein binding, silica nanoparticles, carbon nanotube-based drug delivery systems, diamond nanoparticles and layered double hydroxides (LDHs) drug delivery systems.
Although there are a number of existing books about rational drug design with molecular modeling techniques, these techniques still look mysterious and daunting for pharmaceutical scientists. This book fills the gap between pharmaceutics and molecular modeling, and presents a systematic and overall introduction to computational pharmaceutics. It covers all introductory, advanced and specialist levels. It provides a totally different perspective to pharmaceutical scientists, and will greatly facilitate the development of pharmaceutics. It also helps computational chemists to look for the important questions in the drug delivery field.
Original languageEnglish
Place of PublicationChichester (UK)
PublisherWiley
Number of pages340
ISBN (Electronic)978-1-118-57398-3
ISBN (Print)978-1-118-57399-0
DOIs
Publication statusPublished - 29 Jun 2015

Publication series

NameAdvances in Pharmaceutical Technolog
PublisherWiley

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  • Research Output

    Introduction to computational pharmaceutics

    Ouyang, D. & Smith, S. C., 29 Jun 2015, Computational pharmaceutics: application of molecular modeling in drug delivery. Ouyang, D. & Smith, S. C. (eds.). Chichester (UK): Wiley, p. 1-5 5 p. (Advances in Pharmaceutical Technolog).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  • Solid dispersion – a pragmatic method to improve the bioavailability of poorly soluble drugs

    Ke, P., Qi, S., Ouyang, D. & Sadowski, G., 29 Jun 2015, Computational pharmaceutics: application of molecular modeling in drug delivery. Ouyang, D. & Smith, S. C. (eds.). Chichester (UK): Wiley, p. 81-100 20 p. (Advances in Pharmaceutical Technolog).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  • Solubilization of poorly soluble drugs: cyclodextrin-based formulations

    Thakur, S. S., Parekh, H. S., Schwable, C. H., Gan, Y. & Ouyang, D., 29 Jun 2015, Computational pharmaceutics: application of molecular modeling in drug delivery. Ouyang, D. & Smith, S. C. (eds.). Chichester (UK): Wiley, p. 31-51 21 p. (Advances in Pharmaceutical Technolog).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  • Cite this

    Ouyang, D., & Smith, S. C. (Eds.) (2015). Computational pharmaceutics: application of molecular modeling in drug delivery. (Advances in Pharmaceutical Technolog). Wiley. https://doi.org/10.1002/9781118573983