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Solid-State Perturbation for Solubility Improvement: A Proof of Concept
KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.ORCID iD: 0000-0001-6737-8233
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2011 (English)In: ChemMedChem, ISSN 1860-7179, Vol. 6, no 1, 60-62 p.Article in journal (Refereed) Published
Abstract [en]

Simple and rational: The intrinsic solubility of a compound can be systematically improved by perturbing key interactions in its crystal structure. By carefully choosing the perturbation, the end result will be a molecule similar to the original one, but with significantly higher solubility. This methodology is demonstrated on a subset of benzodiazepines, resulting in significant improvement of their solubility.

Place, publisher, year, edition, pages
2011. Vol. 6, no 1, 60-62 p.
Keyword [en]
ab initio calculations, crystal packing, drug design, solubility, X-ray diffraction
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-32022DOI: 10.1002/cmdc.201000405ISI: 000288400000005Scopus ID: 2-s2.0-78650551533OAI: oai:DiVA.org:kth-32022DiVA: diva2:408929
Note
QC 20110406Available from: 2011-04-06 Created: 2011-04-04 Last updated: 2011-04-06Bibliographically approved

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Rosdahl, Jan

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