Evaluation of novel hyphodermin derivatives as glycogen phosphorylase a inhibitors Loughlin, Wendy A., Pierens, Gregory K., Petersson, Maria J., Henderson, Luke C. and Healy, Peter C. 2008, Evaluation of novel hyphodermin derivatives as glycogen phosphorylase a inhibitors, Bioorganic & medicinal chemistry, vol. 16, no. 11, pp. 6172-6178, doi: 10.1016/j.bmc.2008.04.047. Attached Files Name Description MIMEType Size Downloads Title Evaluation of novel hyphodermin derivatives as glycogen phosphorylase a inhibitors Author(s) Loughlin, Wendy A. Pierens, Gregory K. Petersson, Maria J. Henderson, Luke C. orcid.org/0000-0002-4244-2056 Healy, Peter C. Journal name Bioorganic & medicinal chemistry Volume number 16 Issue number 11 Start page 6172 End page 6178 Total pages 7 Publisher Pergamon Place of publication Oxford, England Publication date 2008-06 ISSN 0968-0896 1464-3391 Summary The lipophilicity, permeability, solubility, polar surface area and ‘rule-of-five’ properties were assessed, using QikProp v2.5 (Schrödinger, Inc.) and ALOGPS 2.1 calculations, for 25 Hyphodermin derivatives. These compounds obeyed the ‘rule-of-five’, and the calculated physicochemical values were generally within desired limits. All compounds were tested against Glycogen Phosphorylase a (GPa). Four phenyl and benzyl substituted 2-oxo-hexahydro and tetrahydrobenzo[cd]indole carboxylic acids were identified as novel inhibitors of GPa with estimated IC50 values in the range 0.8–1.3 mM. Molecular modelling of these novel inhibitors was used to obtain the main structural features of this class of molecule for future structure–activity relationship studies. Language eng DOI 10.1016/j.bmc.2008.04.047 Field of Research 030503 Organic Chemical Synthesis HERDC Research category C1.1 Refereed article in a scholarly journal Copyright notice ©2008, Elsevier Ltd. Persistent URL http://hdl.handle.net/10536/DRO/DU:30028585 Document type: Journal Article Collections: Faculty of Science, Engineering and Built Environment School of Life and Environmental Sciences Related Links Link Description Connect to published version (restricted access) Go to link with your DU access privileges     Unless expressly stated otherwise, the copyright for items in DRO is owned by the author, with all rights reserved. Versions Version Filter Type Wed, 12 May 2010, 12:22:20 EST Wed, 12 May 2010, 12:24:21 EST Wed, 12 May 2010, 12:24:55 EST Thu, 11 Dec 2014, 16:36:12 EST Filtered Full Citation counts:   Cited 12 times in TR Web of Science Cited 13 times in Scopus Search Google Scholar Access Statistics: 796 Abstract Views, 2 File Downloads  -  Detailed Statistics Created: Wed, 12 May 2010, 12:22:15 EST by Leanne Swaneveld