Solid-State Perturbation for Solubility Improvement: A Proof of Concept
2011 (English)In: ChemMedChem, ISSN 1860-7179, Vol. 6, no 1, 60-62 p.Article in journal (Refereed) Published
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.
ab initio calculations, crystal packing, drug design, solubility, X-ray diffraction
IdentifiersURN: urn:nbn:se:kth:diva-32022DOI: 10.1002/cmdc.201000405ISI: 000288400000005ScopusID: 2-s2.0-78650551533OAI: oai:DiVA.org:kth-32022DiVA: diva2:408929
QC 201104062011-04-062011-04-042011-04-06Bibliographically approved