Browsing by Author "Zographos, S. E."
Now showing items 1-14 of 14
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1-(3-Deoxy-3-fluoro-beta-D-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies
Tsirkone, V. G.; Tsoukala, E.; Lamprakis, C.; Manta, S.; Hayes, J. M.; Skamnaki, V. T.; Drakou, C.; Zographos, S. E.; Komiotis, D.; Leonidas, D. D. (2010)Design of inhibitors of glycogen phosphorylase (GP) with pharmaceutical applications in improving glycaemic control in type 2 diabetes is a promising therapeutic strategy. The catalytic site of muscle glycogen phosphorylase ... -
3 '-Axial CH2OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why
Manta, S.; Xipnitou, A.; Kiritsis, C.; Kantsadi, A. L.; Hayes, J. M.; Skamnaki, V. T.; Lamprakis, C.; Kontou, M.; Zoumpoulakis, P.; Zographos, S. E.; Leonidas, D. D.; Komiotis, D. (2012)Glycogen phosphorylase is a molecular target for the design of potential hypoglycemic agents. Structure-based design pinpointed that the 3'-position of glucopyranose equipped with a suitable group has the potential to form ... -
Anopheles gambiae odorant binding protein crystal complex with the synthetic repellent DEET: implications for structure-based design of novel mosquito repellents
Tsitsanou, K. E.; Thireou, T.; Drakou, C. E.; Koussis, K.; Keramioti, M. V.; Leonidas, D. D.; Eliopoulos, E.; Iatrou, K.; Zographos, S. E. (2012)Insect odorant binding proteins (OBPs) are the first components of the olfactory system to encounter and bind attractant and repellent odors emanating from various sources for presentation to olfactory receptors, which ... -
The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: A new class of inhibitors
Alexacou, K. M.; Tenchiu, A. C.; Chrysina, E. D.; Charavgi, M. D.; Kostas, I. D.; Zographos, S. E.; Oikonomakos, N. G.; Leonidas, D. D. (2010)Glycogen phosphorylase (GP) is a promising target for the treatment of type 2 diabetes. In the process of structure based drug design for GP, a group of 15 aromatic aldehyde 4-(beta-D-glucopyranosyl) thiosemicarbazones ... -
The binding of C5-alkynyl and alkylfurano 2,3-d pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment
Kantsadi, A. L.; Manta, S.; Psarra, A. M. G.; Dimopoulou, A.; Kiritsis, C.; Parmenopoulou, V.; Skamnaki, V. T.; Zoumpoulakis, P.; Zographos, S. E.; Leonidas, D. D.; Komiotis, D. (2012)C5-alkynyl and allcylfurano[2,3-d]pyrimidine glucopyranonucleosides have been synthesized and studied as inhibitors of glycogen phosphorylase b (GPb). Kinetic experiments have shown that most of these compounds were low ... -
Halogen-substituted (C-beta-D-glucopyranosyl)-hydroquinone regioisomers: Synthesis, enzymatic evaluation and their binding to glycogen phosphorylase
Alexacou, K. M.; Zhang, Y. Z.; Praly, J. P.; Zographos, S. E.; Chrysina, E. D.; Oikonomakos, N. G.; Leonidas, D. D. (2011)Electrophilic halogenation of C-(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl) 1,4-dimethoxybenzene (1) afforded regioselectively products halogenated at the para position to the D-glucosyl moiety (8, 9) that were deacetylated ... -
hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studies
Drakou, C. E.; Malekkou, A.; Hayes, J. M.; Lederer, C. W.; Leonidas, D. D.; Oikonomakos, N. G.; Lamond, A. I.; Santama, N.; Zographos, S. E. (2012)Human coilin interacting nuclear ATPase protein (hCINAP) directly interacts with coilin, a marker protein of Cajal Bodies (CBs), nuclear organelles involved in the maturation of small nuclear ribonucleoproteins UsnRNPs and ... -
Inhibitor design for ribonuclease A: the binding of two 5 '-phosphate uridine analogues
Tsirkone, V. G.; Dossi, K.; Drakou, C.; Zographos, S. E.; Kontou, M.; Leonidas, D. D. (2009)In the quest for the rational design of selective and potent inhibitors for members of the pancreatic ribonuclease A (RNase A) family of biomedical interest, the binding of uridine 5'-phosphate (U5P) and uridine 5'-diphosphate ... -
Molecular Cloning, Carbohydrate Specificity and the Crystal Structure of Two Sclerotium rolfsii Lectin Variants
Peppa, V. I.; Venkat, H.; Kantsadi, A. L.; Inamdar, S. R.; Bhat, G. G.; Eligar, S.; Shivanand, A.; Chachadi, V. B.; Satisha, G. J.; Swamy, B. M.; Skamnaki, V. T.; Zographos, S. E.; Leonidas, D. D. (2015)SRL is a cell wall associated developmental-stage specific lectin secreted by Sclerotium rolfsii, a soil-born pathogenic fungus. SRL displays specificity for TF antigen (Gal13GalNAc--Ser//Thr) expressed in all cancer types ... -
The s-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b
Kantsadi, A. L.; Hayes, J. M.; Manta, S.; Skamnaki, V. T.; Kiritsis, C.; Psarra, A. M. G.; Koutsogiannis, Z.; Dimopoulou, A.; Theofanous, S.; Nikoleousakos, N.; Zoumpoulakis, P.; Kontou, M.; Papadopoulos, G.; Zographos, S. E.; Komiotis, D.; Leonidas, D. D. (2012)C5 halogen substituted glucopyranosyl nucleosides (1-(beta-D-glucopyranosyl)-5-X-uracil; X=Cl, Br, I) have been discovered as some of the most potent active site inhibitors of glycogen phosphorylase (GP), with respective ... -
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, K. E.; Hayes, J. M.; Keramioti, M.; Mamais, M.; Oikonomakos, N. G.; Kato, A.; Leonidas, D. D.; Zographos, S. E. (2013)Flavonoids have been discovered as novel inhibitors of glycogen phosphorylase (GP), a target to control hyperglycemia in type 2 diabetes. To elucidate the mechanism of inhibition, we have determined the crystal structure ... -
Structural analysis of the Rhizoctoniasolani agglutinin reveals a domain-swapping dimeric assembly
Skamnaki, V. T.; Peumans, W. J.; Kantsadi, A. L.; Cubeta, M. A.; Plas, K.; Pakala, S.; Zographos, S. E.; Smagghe, G.; Nierman, W. C.; Van Damme, E. J. M.; Leonidas, D. D. (2013)Rhizoctoniasolani agglutinin (RSA) is a 15.5-kDa lectin accumulated in the mycelium and sclerotia of the soil born plant pathogenic fungus R.solani. Although it is considered to serve as a storage protein and is implicated ... -
Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-D-glucopyranosylamines
Parmenopoulou, V.; Kantsadi, A. L.; Tsirkone, V. G.; Chatzileontiadou, D. S. M.; Manta, S.; Zographos, S. E.; Molfeta, C.; Archontis, G.; Agius, L.; Hayes, J. M.; Leonidas, D. D.; Komiotis, D. (2014)Glycogen phosphorylase (GP) is a validated target for the development of new type 2 diabetes treatments. Exploiting the Zinc docking database, we report the in silico screening of 1888 N-acyl-beta-D-glucopyranosylamines ... -
Triazole pyrimidine nucleosides as inhibitors of Ribonuclease A. Synthesis, biochemical, and structural evaluation
Parmenopoulou, V.; Chatzileontiadou, D. S. M.; Manta, S.; Bougiatioti, S.; Maragozidis, P.; Gkaragkouni, D. N.; Kaffesaki, E.; Kantsadi, A. L.; Skamnaki, V. T.; Zographos, S. E.; Zounpoulakis, P.; Balatsos, N. A. A.; Komiotis, D.; Leonidas, D. D. (2012)Five ribofuranosyl pyrimidine nucleosides and their corresponding 1,2,3-triazole derivatives have been synthesized and characterized. Their inhibitory action to Ribonuclease A has been studied by biochemical analysis and ...