Evaluation of novel Hyphodermin derivatives as Glycogen Phosphorylase a inhibitors

Loughlin, W. A., Pierens, G. K., Petersson, M. J., Henderson, L. C. and Healy, P. C. (2008) Evaluation of novel Hyphodermin derivatives as Glycogen Phosphorylase a inhibitors. Bioorganic & Medicinal Chemistry, 16 11: 6172-6178.


Author Loughlin, W. A.
Pierens, G. K.
Petersson, M. J.
Henderson, L. C.
Healy, P. C.
Title Evaluation of novel Hyphodermin derivatives as Glycogen Phosphorylase a inhibitors
Journal name Bioorganic & Medicinal Chemistry   Check publisher's open access policy
ISSN 0968-0896
Publication date 2008
Sub-type Article (original research)
DOI 10.1016/j.bmc.2008.04.047
Volume 16
Issue 11
Start page 6172
End page 6178
Total pages 7
Publisher Elsevier
Language eng
Subject 03 Chemical Sciences
0304 Medicinal and Biomolecular Chemistry
Abstract 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 previous termHyphoderminnext term 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 previous termnovelnext term inhibitors of GPa with estimated IC50 values in the range 0.8–1.3 mM. Molecular modelling of these previous termnovelnext term inhibitors was used to obtain the main structural features of this class of molecule for future structure–activity relationship studies. Copyright © 2008 Elsevier Ltd All rights reserved.
Keyword Hyphodermin
Glucose analog inhibitors
Q-Index Code C1

Document type: Journal Article
Sub-type: Article (original research)
Collection: Centre for Advanced Imaging Publications
 
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