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Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: comparison of chrysin and flavopiridol.
Tsitsanou KE, Hayes JM, Keramioti M, Mamais M, Oikonomakos NG, Kato A, Leonidas DD, Zographos SE. Tsitsanou KE, et al. Among authors: zographos se. Food Chem Toxicol. 2013 Nov;61:14-27. doi: 10.1016/j.fct.2012.12.030. Epub 2012 Dec 29. Food Chem Toxicol. 2013. PMID: 23279842
Crystal and solution studies of the "Plus-C" odorant-binding protein 48 from Anopheles gambiae: control of binding specificity through three-dimensional domain swapping.
Tsitsanou KE, Drakou CE, Thireou T, Vitlin Gruber A, Kythreoti G, Azem A, Fessas D, Eliopoulos E, Iatrou K, Zographos SE. Tsitsanou KE, et al. Among authors: zographos se. J Biol Chem. 2013 Nov 15;288(46):33427-38. doi: 10.1074/jbc.M113.505289. Epub 2013 Oct 4. J Biol Chem. 2013. PMID: 24097978 Free PMC article.
Identification of novel bioinspired synthetic mosquito repellents by combined ligand-based screening and OBP-structure-based molecular docking.
Thireou T, Kythreoti G, Tsitsanou KE, Koussis K, Drakou CE, Kinnersley J, Kröber T, Guerin PM, Zhou JJ, Iatrou K, Eliopoulos E, Zographos SE. Thireou T, et al. Among authors: zographos se. Insect Biochem Mol Biol. 2018 Jul;98:48-61. doi: 10.1016/j.ibmb.2018.05.001. Epub 2018 May 8. Insect Biochem Mol Biol. 2018. PMID: 29751047
High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-β-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors.
Fischer T, Koulas SM, Tsagkarakou AS, Kyriakis E, Stravodimos GA, Skamnaki VT, Liggri PGV, Zographos SE, Riedl R, Leonidas DD. Fischer T, et al. Among authors: zographos se. Molecules. 2019 Apr 3;24(7):1322. doi: 10.3390/molecules24071322. Molecules. 2019. PMID: 30987252 Free PMC article.
Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
Szabó KE, Kyriakis E, Psarra AG, Karra AG, Sipos Á, Docsa T, Stravodimos GA, Katsidou E, Skamnaki VT, Liggri PGV, Zographos SE, Mándi A, Király SB, Kurtán T, Leonidas DD, Somsák L. Szabó KE, et al. Among authors: zographos se. J Med Chem. 2019 Jul 11;62(13):6116-6136. doi: 10.1021/acs.jmedchem.9b00356. Epub 2019 Jun 28. J Med Chem. 2019. PMID: 31251604
The architecture of hydrogen and sulfur σ-hole interactions explain differences in the inhibitory potency of C-β-d-glucopyranosyl thiazoles, imidazoles and an N-β-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Kyriakis E, Karra AG, Papaioannou O, Solovou T, Skamnaki VT, Liggri PGV, Zographos SE, Szennyes E, Bokor É, Kun S, Psarra AG, Somsák L, Leonidas DD. Kyriakis E, et al. Among authors: zographos se. Bioorg Med Chem. 2020 Jan 1;28(1):115196. doi: 10.1016/j.bmc.2019.115196. Epub 2019 Nov 14. Bioorg Med Chem. 2020. PMID: 31767404
Glycogen phosphorylase revisited: extending the resolution of the R- and T-state structures of the free enzyme and in complex with allosteric activators.
Leonidas DD, Zographos SE, Tsitsanou KE, Skamnaki VT, Stravodimos G, Kyriakis E. Leonidas DD, et al. Among authors: zographos se. Acta Crystallogr F Struct Biol Commun. 2021 Sep 1;77(Pt 9):303-311. doi: 10.1107/S2053230X21008542. Epub 2021 Aug 26. Acta Crystallogr F Struct Biol Commun. 2021. PMID: 34473107 Free PMC article.
58 results