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Article
Synthesis, screening and docking of small heterocycles as glycogen phosphorylase inhibitors
European Journal of Medicinal Chemistry
  • Stephanie Schweiker, Bond University
  • Wendy Loughlin, Griffith University
  • Anna Lohning, Bond University
  • Maria Petersson, Griffith University
  • Ian Jenkins, Griffith University
Date of this Version
1-1-2014
Document Type
Journal Article
Publication Details

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Schweiker, S. S., Loughlin, W. A., Lohning, A. S., Petersson, M. J., & Jenkins, I. D. (2014). Synthesis, screening and docking of small heterocycles as glycogen phosphorylase inhibitors. European Journal of Medicinal Chemistry, 84, 584-594.

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© Copyright, Elsevier Ltd, 2014

Abstract
A series of morpholine substituted amino acids (phenylalanine, leucine, lysine and glutamic acid) was synthesized. A fragment-based screening approach was then used to evaluate a series of small heterocycles, including morpholine, oxazoline, dihydro-1,3-oxazine, tetrahydro-1,3-oxazepine, thiazoline, tetrahydro-1,3-pyrimidine, tetrahydro-1,3-diazepine and hexahydro-1H- benzimidazole, as potential inhibitors of Glycogen Phosphorylase a. Thiazoline 7 displayed an improved potency (IC50 of 25 μM) and had good LE and LELP values, as compared to heterocycles 1, 5, 9-13 and 19 (IC50 values of 1.1 mM-23.9 mM). A docking study using the crystal structure of human liver Glycogen Phosphorylase, provided insight into the interactions of heterocycles 5, 7, 9-13 and 19 with Glycogen Phosphorylase.
Citation Information
Stephanie Schweiker, Wendy Loughlin, Anna Lohning, Maria Petersson, et al.. "Synthesis, screening and docking of small heterocycles as glycogen phosphorylase inhibitors" European Journal of Medicinal Chemistry (2014) ISSN: 0223-5234
Available at: http://works.bepress.com/anna_lohning/1/