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Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Chetter BA, Kyriakis E, Barr D, Karra AG, Katsidou E, Koulas SM, Skamnaki VT, Snape TJ, Psarra AG, Leonidas DD, Hayes JM. Chetter BA, et al. Among authors: hayes jm. Bioorg Chem. 2020 Sep;102:104003. doi: 10.1016/j.bioorg.2020.104003. Epub 2020 Jun 10. Bioorg Chem. 2020. PMID: 32771768
Multidisciplinary docking, kinetics and X-ray crystallography studies of baicalein acting as a glycogen phosphorylase inhibitor and determination of its' potential against glioblastoma in cellular models.
Mathomes RT, Koulas SM, Tsialtas I, Stravodimos G, Welsby PJ, Psarra AG, Stasik I, Leonidas DD, Hayes JM. Mathomes RT, et al. Among authors: hayes jm. Chem Biol Interact. 2023 Sep 1;382:110568. doi: 10.1016/j.cbi.2023.110568. Epub 2023 Jun 3. Chem Biol Interact. 2023. PMID: 37277066 Free article.
Glycogen phosphorylase as a target for type 2 diabetes: synthetic, biochemical, structural and computational evaluation of novel N-acyl-N´-(β-D-glucopyranosyl) urea inhibitors.
Kantsadi AL, Parmenopoulou V, Bakalov DN, Snelgrove L, Stravodimos GA, Chatzileontiadou DS, Manta S, Panagiotopoulou A, Hayes JM, Komiotis D, Leonidas DD. Kantsadi AL, et al. Among authors: hayes jm. Curr Top Med Chem. 2015;15(23):2373-89. doi: 10.2174/1568026615666150619142253. Curr Top Med Chem. 2015. PMID: 26088352
An evaluation of indirubin analogues as phosphorylase kinase inhibitors.
Begum J, Skamnaki VT, Moffatt C, Bischler N, Sarrou J, Skaltsounis AL, Leonidas DD, Oikonomakos NG, Hayes JM. Begum J, et al. Among authors: hayes jm. J Mol Graph Model. 2015 Sep;61:231-42. doi: 10.1016/j.jmgm.2015.07.010. Epub 2015 Aug 3. J Mol Graph Model. 2015. PMID: 26364215
Evidence for Novel Action at the Cell-Binding Site of Human Angiogenin Revealed by Heteronuclear NMR Spectroscopy, in silico and in vivo Studies.
Chatzileontiadou DSM, Tsika AC, Diamantopoulou Z, Delbé J, Badet J, Courty J, Skamnaki VT, Parmenopoulou V, Komiotis D, Hayes JM, Spyroulias GA, Leonidas DD. Chatzileontiadou DSM, et al. Among authors: hayes jm. ChemMedChem. 2018 Feb 6;13(3):259-269. doi: 10.1002/cmdc.201700688. Epub 2018 Jan 15. ChemMedChem. 2018. PMID: 29314771
3'-axial CH2 OH substitution on glucopyranose does not increase glycogen phosphorylase inhibitory potency. QM/MM-PBSA calculations suggest why.
Manta S, Xipnitou A, Kiritsis C, Kantsadi AL, Hayes JM, Skamnaki VT, Lamprakis C, Kontou M, Zoumpoulakis P, Zographos SE, Leonidas DD, Komiotis D. Manta S, et al. Among authors: hayes jm. Chem Biol Drug Des. 2012 May;79(5):663-73. doi: 10.1111/j.1747-0285.2012.01349.x. Epub 2012 Mar 7. Chem Biol Drug Des. 2012. PMID: 22296957
368 results