Please use this identifier to cite or link to this item:
Title: Weak affinity chromatography for evaluation of stereoisomers in early drug discovery
Authors: Duong-Thi, M.-D.
Bergstrom, M.
Fex, T.
Svensson, S.
Ohlson, S.
Isaksson, R.
Keywords: DRNTU::Science::Biological sciences::Microbiology
Issue Date: 2013
Source: Duong-Thi, M.-D., Bergstrӧm, M., Fex, T., Svensson, S., Ohlson, S., & Isaksson, R. (2013). Weak affinity chromatography for evaluation of stereoisomers in early drug discovery. Journal of biomolecular screening, 18(6), 748-755.
Series/Report no.: Journal of biomolecular screening
Abstract: In early drug discovery (e.g., in fragment screening), recognition of stereoisomeric structures is valuable and guides medicinal chemists to focus only on useful configurations. In this work, we concurrently screened mixtures of stereoisomers and estimated their affinities to a protein target (thrombin) using weak affinity chromatography–mass spectrometry (WAC-MS). Affinity determinations by WAC showed that minor changes in stereoisomeric configuration could have a major impact on affinity. The ability of WAC-MS to provide instant information about stereoselectivity and binding affinities directly from analyte mixtures is a great advantage in fragment library screening and drug lead development.
DOI: 10.1177/1087057113480391
Fulltext Permission: none
Fulltext Availability: No Fulltext
Appears in Collections:SBS Journal Articles

Google ScholarTM




Items in DR-NTU are protected by copyright, with all rights reserved, unless otherwise indicated.