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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: szennyes e. 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
Identification of C-β-d-Glucopyranosyl Azole-Type Inhibitors of Glycogen Phosphorylase That Reduce Glycogenolysis in Hepatocytes: In Silico Design, Synthesis, in Vitro Kinetics, and ex Vivo Studies.
Barr D, Szennyes E, Bokor É, Al-Oanzi ZH, Moffatt C, Kun S, Docsa T, Sipos Á, Davies MP, Mathomes RT, Snape TJ, Agius L, Somsák L, Hayes JM. Barr D, et al. Among authors: szennyes e. ACS Chem Biol. 2019 Jul 19;14(7):1460-1470. doi: 10.1021/acschembio.9b00172. Epub 2019 Jun 19. ACS Chem Biol. 2019. PMID: 31243960
A multidisciplinary study of 3-(β-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Kun S, Begum J, Kyriakis E, Stamati ECV, Barkas TA, Szennyes E, Bokor É, Szabó KE, Stravodimos GA, Sipos Á, Docsa T, Gergely P, Moffatt C, Patraskaki MS, Kokolaki MC, Gkerdi A, Skamnaki VT, Leonidas DD, Somsák L, Hayes JM. Kun S, et al. Among authors: szennyes e. Eur J Med Chem. 2018 Mar 10;147:266-278. doi: 10.1016/j.ejmech.2018.01.095. Epub 2018 Feb 2. Eur J Med Chem. 2018. PMID: 29453094 Free article.