Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Computational prediction of drug solubility in water-based systems: qualitative and quantitative approaches used in the current drug discovery and development setting
Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Pharmacy, Department of Pharmacy.ORCID iD: 0000-0002-8917-2612
Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Pharmacy, Department of Pharmacy.
2018 (English)In: International Journal of Pharmaceutics, ISSN 0378-5173, E-ISSN 1873-3476, Vol. 540, no 1-2, p. 185-193Article, review/survey (Refereed) Published
Abstract [en]

In this review we will discuss recent advances in computational prediction of solubility in water-based solvents. Our focus is set on recent advances in predictions of biorelevant solubility in media mimicking the human intestinal fluids and on new methods to predict the thermodynamic cycle rather than prediction of solubility in pure water through quantitative structure property relationships (QSPR). While the literature is rich in QSPR models for both solubility and melting point, a physicochemical property strongly linked to the solubility, recent advances in the modelling of these properties make use of theory and computational simulations to better predict these properties or processes involved therein (e.g. solid state crystal lattice packing, dissociation of molecules from the lattice and solvation). This review serves to provide an update on these new approaches and how they can be used to more accurately predict solubility, and also importantly, inform us on molecular interactions and processes occurring during drug dissolution and solubilisation.

Place, publisher, year, edition, pages
2018. Vol. 540, no 1-2, p. 185-193
National Category
Pharmaceutical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-342632DOI: 10.1016/j.ijpharm.2018.01.044ISI: 000427584900019OAI: oai:DiVA.org:uu-342632DiVA, id: diva2:1185336
Funder
EU, European Research Council, 638965Available from: 2018-02-23 Created: 2018-02-23 Last updated: 2018-04-05Bibliographically approved

Open Access in DiVA

fulltext(716 kB)32 downloads
File information
File name FULLTEXT01.pdfFile size 716 kBChecksum SHA-512
6f22522142390ca5d8407b9a814bdd3b03689a4c776d6333263c95b931a0dc9974771b477b4ec9ceb1bb684227c8d958662c65f6df5358ae975bfdd4766c0e75
Type fulltextMimetype application/pdf

Other links

Publisher's full text

Search in DiVA

By author/editor
Bergström, Christel A SLarsson, Per
By organisation
Department of Pharmacy
In the same journal
International Journal of Pharmaceutics
Pharmaceutical Sciences

Search outside of DiVA

GoogleGoogle Scholar
Total: 32 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 73 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf