Introduction to computational pharmaceutics

Defang Ouyang, Sean C. Smith

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

Computational pharmaceutics has the ability to provide multiscale lenses to pharmaceutical scientists, revealing mechanistic details ranging across the chemical reactions of small drug molecules, proteins, nucleic acids, nanoparticles, and powders with the human body. This chapter provides an introduction to the application of computational modeling techniques to problems relating to pharmaceutics (drug delivery and formulation development) that will be of great relevance for pharmaceutical scientists and computational chemists in both industry and academia. Contributions from leading researchers cover both computational modeling methodologies and various examples where these methods have been applied successfully in this field. Crystal structure prediction (CSP) methods have gained wide attention from pharmaceutical scientists. Polymeric-based micellar vehicles have been widely used in pharmaceutics for the delivery of both hydrophilic and lipophilic drugs. Physiology-based pharmacokinetics plays an important role in pre-clinical drug development and formulation development.
Original languageEnglish
Title of host publicationComputational pharmaceutics
Subtitle of host publicationapplication of molecular modeling in drug delivery
EditorsDefang Ouyang, Sean C. Smith
Place of PublicationChichester (UK)
PublisherWiley
Pages1-5
Number of pages5
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

    Computational pharmaceutics: application of molecular modeling in drug delivery

    Ouyang, D. (ed.) & Smith, S. C. (ed.), 29 Jun 2015, Chichester (UK): Wiley. 340 p. (Advances in Pharmaceutical Technolog)

    Research output: Book/ReportAnthology

  • 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. (2015). Introduction to computational pharmaceutics. In D. Ouyang, & S. C. Smith (Eds.), Computational pharmaceutics: application of molecular modeling in drug delivery (pp. 1-5). (Advances in Pharmaceutical Technolog). Wiley. https://doi.org/10.1002/9781118573983.ch1